3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine

C15H23N3O2S — CID 115561614

IUPAC3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1S(=O)(=O)N1CC2CCCC2C1
InChIInChI=1S/C15H23N3O2S/c1-2-8-16-15-14(7-4-9-17-15)21(19,20)18-10-12-5-3-6-13(12)11-18/h4,7,9,12-13H,2-3,5-6,8,10-11H2,1H3,(H,16,17)
InChIKeyJIDJBRZLOIQZLT-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.32
Rot. Bonds5

About 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine (PubChem CID 115561614) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine
PubChem CID115561614
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1S(=O)(=O)N1CC2CCCC2C1
InChIInChI=1S/C15H23N3O2S/c1-2-8-16-15-14(7-4-9-17-15)21(19,20)18-10-12-5-3-6-13(12)11-18/h4,7,9,12-13H,2-3,5-6,8,10-11H2,1H3,(H,16,17)
InChIKeyJIDJBRZLOIQZLT-UHFFFAOYSA-N
XLogP2.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine with MolForge

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Related Compounds

3-(azocan-1-ylsulfonyl)-N-propylpyridin-2-amine
CID 62150305
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine
CID 104968712
3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine
CID 62966790
3-(2-methylmorpholin-4-yl)sulfonyl-N-propylpyridin-2-amine
CID 62149023
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(propylamino)-3-pyridinyl]methanone
CID 115561651
N-ethyl-3-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62148841
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62145695
N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 133308692
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 55043660
N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-sulfonamide
CID 55043917
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-ethylpyridin-2-amine
CID 82752813
2-[(3-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-N-propylacetamide
CID 133383079

Frequently Asked Questions

What is the IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine (CID 115561614) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine is CCCNc1ncccc1S(=O)(=O)N1CC2CCCC2C1.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine?
The InChIKey is JIDJBRZLOIQZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-2-8-16-15-14(7-4-9-17-15)21(19,20)18-10-12-5-3-6-13(12)11-18/h4,7,9,12-13H,2-3,5-6,8,10-11H2,1H3,(H,16,17).
What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine?
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine has a molecular weight of 309.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 115561614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).