2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C12H15ClN2O2S — CID 113335667

IUPAC2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESO=S(=O)(c1cnccc1Cl)N1CC2CCCC2C1
InChIInChI=1S/C12H15ClN2O2S/c13-11-4-5-14-6-12(11)18(16,17)15-7-9-2-1-3-10(9)8-15/h4-6,9-10H,1-3,7-8H2
InChIKeyPWRMSUBXZIFAMJ-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.16
Rot. Bonds2

About 2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 113335667) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID113335667
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESO=S(=O)(c1cnccc1Cl)N1CC2CCCC2C1
InChIInChI=1S/C12H15ClN2O2S/c13-11-4-5-14-6-12(11)18(16,17)15-7-9-2-1-3-10(9)8-15/h4-6,9-10H,1-3,7-8H2
InChIKeyPWRMSUBXZIFAMJ-UHFFFAOYSA-N
XLogP2.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole with MolForge

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Related Compounds

(3R)-1-[(4-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 104940811
4-[(4-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione
CID 66083611
4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine
CID 114408724
2-[(4-chloro-3-pyridinyl)sulfonyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81096767
2-(4-bromo-3-chlorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 134367202
4-chloro-N-cyclohexylpyridine-3-sulfonamide
CID 10492602
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-4-amine
CID 66369552
2-(3-chloro-4-methylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867913
2-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115561154
4-[(4-chloro-3-pyridinyl)sulfonyl]-3-ethylpiperazine-2,6-dione
CID 66068360
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)pyridine-2-carbothioamide
CID 106597687
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)pyridin-4-amine
CID 65324950

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 113335667) is 2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is O=S(=O)(c1cnccc1Cl)N1CC2CCCC2C1.
What is the InChIKey of 2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is PWRMSUBXZIFAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c13-11-4-5-14-6-12(11)18(16,17)15-7-9-2-1-3-10(9)8-15/h4-6,9-10H,1-3,7-8H2.
What are the key properties of 2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 286.78 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-pyridinyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 113335667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).