6-azaspiro[2.5]octane;10-chloro-N-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;ethane

C24H37ClN4S — CID 144667797

IUPAC6-azaspiro[2.5]octane;10-chloro-N-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;ethane
SMILESC1CC2(CCN1)CC2.CC.Clc1nc(NC2CCCCC2)c2c3c(sc2n1)CCC3
InChIInChI=1S/C15H18ClN3S.C7H13N.C2H6/c16-15-18-13(17-9-5-2-1-3-6-9)12-10-7-4-8-11(10)20-14(12)19-15;1-2-7(1)3-5-8-6-4-7;1-2/h9H,1-8H2,(H,17,18,19);8H,1-6H2;1-2H3
InChIKeyLARYUJIKBUIOPF-UHFFFAOYSA-N
MW449.11 g/mol
LogP6.75
Rot. Bonds2

About 6-azaspiro[2.5]octane;10-chloro-N-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;ethane

6-azaspiro[2.5]octane;10-chloro-N-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;ethane (PubChem CID 144667797) has the molecular formula C24H37ClN4S and a molecular weight of 449.11 g/mol. Its IUPAC name is 6-azaspiro[2.5]octane;10-chloro-N-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;ethane.

Molecular Properties

Compound Name6-azaspiro[2.5]octane;10-chloro-N-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;ethane
PubChem CID144667797
Molecular FormulaC24H37ClN4S
Molecular Weight449.11 g/mol
Exact Mass448.24
IUPAC Name6-azaspiro[2.5]octane;10-chloro-N-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;ethane
SMILESC1CC2(CCN1)CC2.CC.Clc1nc(NC2CCCCC2)c2c3c(sc2n1)CCC3
InChIInChI=1S/C15H18ClN3S.C7H13N.C2H6/c16-15-18-13(17-9-5-2-1-3-6-9)12-10-7-4-8-11(10)20-14(12)19-15;1-2-7(1)3-5-8-6-4-7;1-2/h9H,1-8H2,(H,17,18,19);8H,1-6H2;1-2H3
InChIKeyLARYUJIKBUIOPF-UHFFFAOYSA-N
XLogP6.75
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.11
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-azaspiro[2.5]octane;10-chloro-N-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;ethane with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-cyclohexyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 90287286
2-chloro-N-(2-methylcyclohexyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 82066247
4-N-(10-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)cyclohexane-1,4-diamine;1-N-(10-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;methane
CID 161311933
N-(2,5-dichloropyrimidin-4-yl)-3-azaspiro[5.5]undecan-9-amine
CID 126665328
N-(1-benzylpiperidin-4-yl)-2-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 134115903
2-chloro-N-propan-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 82066236
N-(10-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-N',N'-diethylethane-1,2-diamine
CID 82066525
2-chloro-N-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 82066231
(7R)-N-cyclohexyl-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 829628
10-chloro-N-(4-fluorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 93214045
5-chloro-N-cyclohexyl-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;ethane;morpholine
CID 144818197
2-chloro-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 82065570

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octane;10-chloro-N-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;ethane?
The IUPAC name of 6-azaspiro[2.5]octane;10-chloro-N-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;ethane (CID 144667797) is 6-azaspiro[2.5]octane;10-chloro-N-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;ethane.
What is the SMILES notation for 6-azaspiro[2.5]octane;10-chloro-N-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;ethane?
The canonical SMILES for 6-azaspiro[2.5]octane;10-chloro-N-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;ethane is C1CC2(CCN1)CC2.CC.Clc1nc(NC2CCCCC2)c2c3c(sc2n1)CCC3.
What is the InChIKey of 6-azaspiro[2.5]octane;10-chloro-N-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;ethane?
The InChIKey is LARYUJIKBUIOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S.C7H13N.C2H6/c16-15-18-13(17-9-5-2-1-3-6-9)12-10-7-4-8-11(10)20-14(12)19-15;1-2-7(1)3-5-8-6-4-7;1-2/h9H,1-8H2,(H,17,18,19);8H,1-6H2;1-2H3.
What are the key properties of 6-azaspiro[2.5]octane;10-chloro-N-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;ethane?
6-azaspiro[2.5]octane;10-chloro-N-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;ethane has a molecular weight of 449.11 g/mol, XLogP of 6.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[2.5]octane;10-chloro-N-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;ethane is sourced from PubChem (CID 144667797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).