[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine

C15H22N2O2S — CID 65319523

IUPAC[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine
SMILESNCc1ccc(S(=O)(=O)N2CCCC3CCCC32)cc1
InChIInChI=1S/C15H22N2O2S/c16-11-12-6-8-14(9-7-12)20(18,19)17-10-2-4-13-3-1-5-15(13)17/h6-9,13,15H,1-5,10-11,16H2
InChIKeyOOKAYBSAGLWIQL-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.10
Rot. Bonds3

About [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine

[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine (PubChem CID 65319523) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine
PubChem CID65319523
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine
SMILESNCc1ccc(S(=O)(=O)N2CCCC3CCCC32)cc1
InChIInChI=1S/C15H22N2O2S/c16-11-12-6-8-14(9-7-12)20(18,19)17-10-2-4-13-3-1-5-15(13)17/h6-9,13,15H,1-5,10-11,16H2
InChIKeyOOKAYBSAGLWIQL-UHFFFAOYSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine with MolForge

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Related Compounds

[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonylmethyl)phenyl]methanamine
CID 65319374
2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 82752347
[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 55040179
(4aS,8aR)-1-(4-chlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 6946060
2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 151276711
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]benzamide
CID 40882510
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-2-methylaniline
CID 65319145
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine
CID 65319473
1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine
CID 110871963
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridine-2-carbothioamide
CID 114614547
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-pyridinyl]methanamine
CID 82751843
(2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine
CID 70332287

Frequently Asked Questions

What is the IUPAC name of [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine?
The IUPAC name of [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine (CID 65319523) is [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine.
What is the SMILES notation for [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine?
The canonical SMILES for [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine is NCc1ccc(S(=O)(=O)N2CCCC3CCCC32)cc1.
What is the InChIKey of [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine?
The InChIKey is OOKAYBSAGLWIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c16-11-12-6-8-14(9-7-12)20(18,19)17-10-2-4-13-3-1-5-15(13)17/h6-9,13,15H,1-5,10-11,16H2.
What are the key properties of [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine?
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine has a molecular weight of 294.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)phenyl]methanamine is sourced from PubChem (CID 65319523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).