N-cyclopentyl-8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine

C19H20N6O2S — CID 141383229

IUPACN-cyclopentyl-8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine
SMILESCc1ccccc1S(=O)(=O)c1nc2[nH]ccc2n2c(NC3CCCC3)nnc12
InChIInChI=1S/C19H20N6O2S/c1-12-6-2-5-9-15(12)28(26,27)18-17-23-24-19(21-13-7-3-4-8-13)25(17)14-10-11-20-16(14)22-18/h2,5-6,9-11,13,20H,3-4,7-8H2,1H3,(H,21,24)
InChIKeyHFUVWVRXCPFZBJ-UHFFFAOYSA-N
MW396.48 g/mol
LogP3.10
Rot. Bonds4

About N-cyclopentyl-8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine

N-cyclopentyl-8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine (PubChem CID 141383229) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is N-cyclopentyl-8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine.

Molecular Properties

Compound NameN-cyclopentyl-8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine
PubChem CID141383229
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC NameN-cyclopentyl-8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine
SMILESCc1ccccc1S(=O)(=O)c1nc2[nH]ccc2n2c(NC3CCCC3)nnc12
InChIInChI=1S/C19H20N6O2S/c1-12-6-2-5-9-15(12)28(26,27)18-17-23-24-19(21-13-7-3-4-8-13)25(17)14-10-11-20-16(14)22-18/h2,5-6,9-11,13,20H,3-4,7-8H2,1H3,(H,21,24)
InChIKeyHFUVWVRXCPFZBJ-UHFFFAOYSA-N
XLogP3.10
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine with MolForge

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Related Compounds

2-[8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]bicyclo[2.2.2]octan-1-amine
CID 141383356
5-[[(1S,3R,4S)-3-ethyl-4-[8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]amino]pyrazine-2-carbonitrile
CID 156769541
tert-butyl N-[(1S,3R,4S)-3-ethyl-4-[8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]carbamate
CID 141255996
N-[(1S,3R,4S)-3-ethyl-4-[8-(2-methylphenyl)sulfonyl-10-(2,2,2-trifluoroethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]cyclopentyl]cyclopropanesulfonamide
CID 156769533
N-cyclohexyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine
CID 10854865
[(3S)-1-[4-[(1R)-1-hydroxyethyl]-7-(2-methylphenyl)sulfonyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrrolidin-3-yl] carbamate
CID 175298217
[(3S)-1-[4-[(1S)-1-hydroxyethyl]-7-(2-methylphenyl)sulfonyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrrolidin-3-yl] carbamate
CID 175298191
N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113014986
3-(2,5-dimethylphenyl)sulfonyl-N-(2-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine
CID 20878526
N-cyclopentyl-1-methylbenzimidazol-2-amine
CID 923815
N-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 71258218
N-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine?
The IUPAC name of N-cyclopentyl-8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine (CID 141383229) is N-cyclopentyl-8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine.
What is the SMILES notation for N-cyclopentyl-8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine?
The canonical SMILES for N-cyclopentyl-8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine is Cc1ccccc1S(=O)(=O)c1nc2[nH]ccc2n2c(NC3CCCC3)nnc12.
What is the InChIKey of N-cyclopentyl-8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine?
The InChIKey is HFUVWVRXCPFZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-12-6-2-5-9-15(12)28(26,27)18-17-23-24-19(21-13-7-3-4-8-13)25(17)14-10-11-20-16(14)22-18/h2,5-6,9-11,13,20H,3-4,7-8H2,1H3,(H,21,24).
What are the key properties of N-cyclopentyl-8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine?
N-cyclopentyl-8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine has a molecular weight of 396.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-8-(2-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine is sourced from PubChem (CID 141383229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).