[10-(benzenesulfonyl)-4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl]-piperidin-4-ylmethanamine

C20H24N6O2S — CID 67351342

IUPAC[10-(benzenesulfonyl)-4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl]-piperidin-4-ylmethanamine
SMILESNC(C1CCNCC1)N1Cc2c(cnc3c2ccn3S(=O)(=O)c2ccccc2)N1
InChIInChI=1S/C20H24N6O2S/c21-19(14-6-9-22-10-7-14)25-13-17-16-8-11-26(20(16)23-12-18(17)24-25)29(27,28)15-4-2-1-3-5-15/h1-5,8,11-12,14,19,22,24H,6-7,9-10,13,21H2
InChIKeyNTQIRGGSPKUOHL-UHFFFAOYSA-N
MW412.52 g/mol
LogP1.70
Rot. Bonds4

About [10-(benzenesulfonyl)-4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl]-piperidin-4-ylmethanamine

[10-(benzenesulfonyl)-4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl]-piperidin-4-ylmethanamine (PubChem CID 67351342) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is [10-(benzenesulfonyl)-4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl]-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name[10-(benzenesulfonyl)-4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl]-piperidin-4-ylmethanamine
PubChem CID67351342
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC Name[10-(benzenesulfonyl)-4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl]-piperidin-4-ylmethanamine
SMILESNC(C1CCNCC1)N1Cc2c(cnc3c2ccn3S(=O)(=O)c2ccccc2)N1
InChIInChI=1S/C20H24N6O2S/c21-19(14-6-9-22-10-7-14)25-13-17-16-8-11-26(20(16)23-12-18(17)24-25)29(27,28)15-4-2-1-3-5-15/h1-5,8,11-12,14,19,22,24H,6-7,9-10,13,21H2
InChIKeyNTQIRGGSPKUOHL-UHFFFAOYSA-N
XLogP1.70
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [10-(benzenesulfonyl)-4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl]-piperidin-4-ylmethanamine with MolForge

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Related Compounds

N,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
N-(5-(3-(2H-Tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52936958
N-(5-(3-(2H-Tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-2,4-difluorobenzenesulfonamide
CID 52937066
1-(Benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine
CID 67156504
N,N-dimethyl-4-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide
CID 118720611
N,N-dimethyl-4-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide
CID 118720612
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-benzylpyridine-3-sulfonamide
CID 42623224
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-phenylpyridine-3-sulfonamide
CID 44621451
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-benzylpyridine-3-sulfonamide
CID 44621452
N-(5-(3-(pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl)benzenesulfonamide
CID 50925575
N-[4-[(1R,5S)-3-(2-methylimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenyl-butyl]benzenesulfonamide
CID 50943793
N-(5-(Imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)benzenesulfonamide
CID 52936737

Frequently Asked Questions

What is the IUPAC name of [10-(benzenesulfonyl)-4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl]-piperidin-4-ylmethanamine?
The IUPAC name of [10-(benzenesulfonyl)-4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl]-piperidin-4-ylmethanamine (CID 67351342) is [10-(benzenesulfonyl)-4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl]-piperidin-4-ylmethanamine.
What is the SMILES notation for [10-(benzenesulfonyl)-4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl]-piperidin-4-ylmethanamine?
The canonical SMILES for [10-(benzenesulfonyl)-4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl]-piperidin-4-ylmethanamine is NC(C1CCNCC1)N1Cc2c(cnc3c2ccn3S(=O)(=O)c2ccccc2)N1.
What is the InChIKey of [10-(benzenesulfonyl)-4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl]-piperidin-4-ylmethanamine?
The InChIKey is NTQIRGGSPKUOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c21-19(14-6-9-22-10-7-14)25-13-17-16-8-11-26(20(16)23-12-18(17)24-25)29(27,28)15-4-2-1-3-5-15/h1-5,8,11-12,14,19,22,24H,6-7,9-10,13,21H2.
What are the key properties of [10-(benzenesulfonyl)-4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl]-piperidin-4-ylmethanamine?
[10-(benzenesulfonyl)-4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl]-piperidin-4-ylmethanamine has a molecular weight of 412.52 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(benzenesulfonyl)-4,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl]-piperidin-4-ylmethanamine is sourced from PubChem (CID 67351342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).