1-benzyl-4-[(7-ethyl-6,7,8,9-tetrahydro-5H-fluoren-4-yl)methyl]piperidine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

C123H165N19O2S5 — CID 157278915

About 1-benzyl-4-[(7-ethyl-6,7,8,9-tetrahydro-5H-fluoren-4-yl)methyl]piperidine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

1-benzyl-4-[(7-ethyl-6,7,8,9-tetrahydro-5H-fluoren-4-yl)methyl]piperidine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 157278915) has the molecular formula C123H165N19O2S5 and a molecular weight of 2102.14 g/mol. Its IUPAC name is 1-benzyl-4-[(7-ethyl-6,7,8,9-tetrahydro-5H-fluoren-4-yl)methyl]piperidine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 1-benzyl-4-[(7-ethyl-6,7,8,9-tetrahydro-5H-fluoren-4-yl)methyl]piperidine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
• PubChem CID: 157278915
• Molecular Formula: C123H165N19O2S5
• Molecular Weight: 2102.14 g/mol
• Exact Mass: 2100.20
• IUPAC Name: 1-benzyl-4-[(7-ethyl-6,7,8,9-tetrahydro-5H-fluoren-4-yl)methyl]piperidine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
• SMILES: CC1(C)CCc2sc3ncnc(NC4CCC(N)CC4)c3c2C1.CC1CCc2c(sc3ncnc(NC4CCN(Cc5ccccc5)CC4)c23)C1.CC1CCc2sc3ncnc(NC4CCCC(O)C4)c3c2C1.CCC1CCC2=C(Cc3cccc(CC4CCN(Cc5ccccc5)CC4)c32)C1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)CC(C)(C)CC4)CC1.C[C@@H]1CCc2sc3ncnc(NC4CCC(O)CC4)c3c2C1
• InChI: InChI=1S/C28H35N.C23H28N4S.C20H30N4S.C18H26N4S.2C17H23N3OS/c1-2-21-11-12-27-26(17-21)19-25-10-6-9-24(28(25)27)18-22-13-15-29(16-14-22)20-23-7-4-3-5-8-23;1-16-7-8-19-20(13-16)28-23-21(19)22(24-15-25-23)26-18-9-11-27(12-10-18)14-17-5-3-2-4-6-17;1-20(2)10-9-16-15(11-20)17-18(21-12-22-19(17)25-16)23-13-5-7-14(8-6-13)24(3)4;1-18(2)8-7-14-13(9-18)15-16(20-10-21-17(15)23-14)22-12-5-3-11(19)4-6-12;1-10-2-7-14-13(8-10)15-16(18-9-19-17(15)22-14)20-11-3-5-12(21)6-4-11;1-10-5-6-14-13(7-10)15-16(18-9-19-17(15)22-14)20-11-3-2-4-12(21)8-11/h3-10,21-22H,2,11-20H2,1H3;2-6,15-16,18H,7-14H2,1H3,(H,24,25,26);12-14H,5-11H2,1-4H3,(H,21,22,23);10-12H,3-9,19H2,1-2H3,(H,20,21,22);2*9-12,21H,2-8H2,1H3,(H,18,19,20)/t;;;;10-,11?,12?;/m....1./s1
• InChIKey: AZKWHFOQWUCWAN-OCIWSPQGSA-N
• XLogP: 27.00
• TPSA: 265.25 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2102.14
LogP ≤ 5	27.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(7-ethyl-6,7,8,9-tetrahydro-5H-fluoren-4-yl)methyl]piperidine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?

The IUPAC name of 1-benzyl-4-[(7-ethyl-6,7,8,9-tetrahydro-5H-fluoren-4-yl)methyl]piperidine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 157278915) is 1-benzyl-4-[(7-ethyl-6,7,8,9-tetrahydro-5H-fluoren-4-yl)methyl]piperidine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.

What is the SMILES notation for 1-benzyl-4-[(7-ethyl-6,7,8,9-tetrahydro-5H-fluoren-4-yl)methyl]piperidine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?

The canonical SMILES for 1-benzyl-4-[(7-ethyl-6,7,8,9-tetrahydro-5H-fluoren-4-yl)methyl]piperidine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is CC1(C)CCc2sc3ncnc(NC4CCC(N)CC4)c3c2C1.CC1CCc2c(sc3ncnc(NC4CCN(Cc5ccccc5)CC4)c23)C1.CC1CCc2sc3ncnc(NC4CCCC(O)C4)c3c2C1.CCC1CCC2=C(Cc3cccc(CC4CCN(Cc5ccccc5)CC4)c32)C1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)CC(C)(C)CC4)CC1.C[C@@H]1CCc2sc3ncnc(NC4CCC(O)CC4)c3c2C1.

What is the InChIKey of 1-benzyl-4-[(7-ethyl-6,7,8,9-tetrahydro-5H-fluoren-4-yl)methyl]piperidine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?

The InChIKey is AZKWHFOQWUCWAN-OCIWSPQGSA-N. The full InChI is InChI=1S/C28H35N.C23H28N4S.C20H30N4S.C18H26N4S.2C17H23N3OS/c1-2-21-11-12-27-26(17-21)19-25-10-6-9-24(28(25)27)18-22-13-15-29(16-14-22)20-23-7-4-3-5-8-23;1-16-7-8-19-20(13-16)28-23-21(19)22(24-15-25-23)26-18-9-11-27(12-10-18)14-17-5-3-2-4-6-17;1-20(2)10-9-16-15(11-20)17-18(21-12-22-19(17)25-16)23-13-5-7-14(8-6-13)24(3)4;1-18(2)8-7-14-13(9-18)15-16(20-10-21-17(15)23-14)22-12-5-3-11(19)4-6-12;1-10-2-7-14-13(8-10)15-16(18-9-19-17(15)22-14)20-11-3-5-12(21)6-4-11;1-10-5-6-14-13(7-10)15-16(18-9-19-17(15)22-14)20-11-3-2-4-12(21)8-11/h3-10,21-22H,2,11-20H2,1H3;2-6,15-16,18H,7-14H2,1H3,(H,24,25,26);12-14H,5-11H2,1-4H3,(H,21,22,23);10-12H,3-9,19H2,1-2H3,(H,20,21,22);2*9-12,21H,2-8H2,1H3,(H,18,19,20)/t;;;;10-,11?,12?;/m....1./s1.

What are the key properties of 1-benzyl-4-[(7-ethyl-6,7,8,9-tetrahydro-5H-fluoren-4-yl)methyl]piperidine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?

1-benzyl-4-[(7-ethyl-6,7,8,9-tetrahydro-5H-fluoren-4-yl)methyl]piperidine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 2102.14 g/mol, XLogP of 27.00, 18 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-4-[(7-ethyl-6,7,8,9-tetrahydro-5H-fluoren-4-yl)methyl]piperidine;N-(1-benzylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;4-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine;1-N-(6,6-dimethyl-7,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;3-[(6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[[(6R)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 157278915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).