N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;4-methylsulfonyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;4-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-c]pyridine

C99H98N14O16S10 — CID 167555158

IUPACN,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;4-methylsulfonyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;4-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-c]pyridine
SMILESCN(C)c1cncc(-c2ccc(S(C)(=O)=O)cc2)n1.CS(=O)(=O)c1ccc(-c2cc(NCc3ccco3)ncn2)cc1.CS(=O)(=O)c1ccc(-c2cc(S(C)(=O)=O)cc(NCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cc3c(ccn3Cc3cccs3)cn2)cc1.CS(=O)(=O)c1ccc(-c2ccnc(OCc3cccs3)c2)cc1.CS(=O)(=O)c1ccc(-c2cncc(N3CCCCC3)n2)cc1
InChIInChI=1S/C19H16N2O2S2.C18H18N2O4S3.C17H15NO3S2.C16H15N3O3S.C16H19N3O2S.C13H15N3O2S/c1-25(22,23)17-6-4-14(5-7-17)18-11-19-15(12-20-18)8-9-21(19)13-16-3-2-10-24-16;1-26(21,22)15-7-5-13(6-8-15)17-10-16(27(2,23)24)11-18(20-17)19-12-14-4-3-9-25-14;1-23(19,20)16-6-4-13(5-7-16)14-8-9-18-17(11-14)21-12-15-3-2-10-22-15;1-23(20,21)14-6-4-12(5-7-14)15-9-16(19-11-18-15)17-10-13-3-2-8-22-13;1-22(20,21)14-7-5-13(6-8-14)15-11-17-12-16(18-15)19-9-3-2-4-10-19;1-16(2)13-9-14-8-12(15-13)10-4-6-11(7-5-10)19(3,17)18/h2-12H,13H2,1H3;3-11H,12H2,1-2H3,(H,19,20);2-11H,12H2,1H3;2-9,11H,10H2,1H3,(H,17,18,19);5-8,11-12H,2-4,9-10H2,1H3;4-9H,1-3H3
InChIKeyCXNCORBZPBAVEE-UHFFFAOYSA-N
MW2060.62 g/mol
LogP18.14
Rot. Bonds26

About N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;4-methylsulfonyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;4-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-c]pyridine

N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;4-methylsulfonyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;4-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-c]pyridine (PubChem CID 167555158) has the molecular formula C99H98N14O16S10 and a molecular weight of 2060.62 g/mol. Its IUPAC name is N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;4-methylsulfonyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;4-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound NameN,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;4-methylsulfonyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;4-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-c]pyridine
PubChem CID167555158
Molecular FormulaC99H98N14O16S10
Molecular Weight2060.62 g/mol
Exact Mass2058.45
IUPAC NameN,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;4-methylsulfonyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;4-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-c]pyridine
SMILESCN(C)c1cncc(-c2ccc(S(C)(=O)=O)cc2)n1.CS(=O)(=O)c1ccc(-c2cc(NCc3ccco3)ncn2)cc1.CS(=O)(=O)c1ccc(-c2cc(S(C)(=O)=O)cc(NCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cc3c(ccn3Cc3cccs3)cn2)cc1.CS(=O)(=O)c1ccc(-c2ccnc(OCc3cccs3)c2)cc1.CS(=O)(=O)c1ccc(-c2cncc(N3CCCCC3)n2)cc1
InChIInChI=1S/C19H16N2O2S2.C18H18N2O4S3.C17H15NO3S2.C16H15N3O3S.C16H19N3O2S.C13H15N3O2S/c1-25(22,23)17-6-4-14(5-7-17)18-11-19-15(12-20-18)8-9-21(19)13-16-3-2-10-24-16;1-26(21,22)15-7-5-13(6-8-15)17-10-16(27(2,23)24)11-18(20-17)19-12-14-4-3-9-25-14;1-23(19,20)16-6-4-13(5-7-16)14-8-9-18-17(11-14)21-12-15-3-2-10-22-15;1-23(20,21)14-6-4-12(5-7-14)15-9-16(19-11-18-15)17-10-13-3-2-8-22-13;1-22(20,21)14-7-5-13(6-8-14)15-11-17-12-16(18-15)19-9-3-2-4-10-19;1-16(2)13-9-14-8-12(15-13)10-4-6-11(7-5-10)19(3,17)18/h2-12H,13H2,1H3;3-11H,12H2,1-2H3,(H,19,20);2-11H,12H2,1H3;2-9,11H,10H2,1H3,(H,17,18,19);5-8,11-12H,2-4,9-10H2,1H3;4-9H,1-3H3
InChIKeyCXNCORBZPBAVEE-UHFFFAOYSA-N
XLogP18.14
TPSA412.83 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002060.62
LogP ≤ 518.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Analyze N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;4-methylsulfonyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;4-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;4-methylsulfonyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;4-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-c]pyridine?
The IUPAC name of N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;4-methylsulfonyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;4-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-c]pyridine (CID 167555158) is N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;4-methylsulfonyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;4-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-c]pyridine.
What is the SMILES notation for N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;4-methylsulfonyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;4-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-c]pyridine?
The canonical SMILES for N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;4-methylsulfonyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;4-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-c]pyridine is CN(C)c1cncc(-c2ccc(S(C)(=O)=O)cc2)n1.CS(=O)(=O)c1ccc(-c2cc(NCc3ccco3)ncn2)cc1.CS(=O)(=O)c1ccc(-c2cc(S(C)(=O)=O)cc(NCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cc3c(ccn3Cc3cccs3)cn2)cc1.CS(=O)(=O)c1ccc(-c2ccnc(OCc3cccs3)c2)cc1.CS(=O)(=O)c1ccc(-c2cncc(N3CCCCC3)n2)cc1.
What is the InChIKey of N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;4-methylsulfonyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;4-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-c]pyridine?
The InChIKey is CXNCORBZPBAVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S2.C18H18N2O4S3.C17H15NO3S2.C16H15N3O3S.C16H19N3O2S.C13H15N3O2S/c1-25(22,23)17-6-4-14(5-7-17)18-11-19-15(12-20-18)8-9-21(19)13-16-3-2-10-24-16;1-26(21,22)15-7-5-13(6-8-15)17-10-16(27(2,23)24)11-18(20-17)19-12-14-4-3-9-25-14;1-23(19,20)16-6-4-13(5-7-16)14-8-9-18-17(11-14)21-12-15-3-2-10-22-15;1-23(20,21)14-6-4-12(5-7-14)15-9-16(19-11-18-15)17-10-13-3-2-8-22-13;1-22(20,21)14-7-5-13(6-8-14)15-11-17-12-16(18-15)19-9-3-2-4-10-19;1-16(2)13-9-14-8-12(15-13)10-4-6-11(7-5-10)19(3,17)18/h2-12H,13H2,1H3;3-11H,12H2,1-2H3,(H,19,20);2-11H,12H2,1H3;2-9,11H,10H2,1H3,(H,17,18,19);5-8,11-12H,2-4,9-10H2,1H3;4-9H,1-3H3.
What are the key properties of N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;4-methylsulfonyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;4-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-c]pyridine?
N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;4-methylsulfonyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;4-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-c]pyridine has a molecular weight of 2060.62 g/mol, XLogP of 18.14, 26 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrimidin-4-amine;4-methylsulfonyl-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;4-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethoxy)pyridine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 167555158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).