1-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole

C8H15NO2S — CID 130741756

IUPAC1-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
SMILESCS(=O)(=O)N1CCC2CCCC21
InChIInChI=1S/C8H15NO2S/c1-12(10,11)9-6-5-7-3-2-4-8(7)9/h7-8H,2-6H2,1H3
InChIKeySILPPEOSLBDXHG-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.82
Rot. Bonds1

About 1-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole

1-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole (PubChem CID 130741756) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole.

Molecular Properties

Compound Name1-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
PubChem CID130741756
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name1-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
SMILESCS(=O)(=O)N1CCC2CCCC21
InChIInChI=1S/C8H15NO2S/c1-12(10,11)9-6-5-7-3-2-4-8(7)9/h7-8H,2-6H2,1H3
InChIKeySILPPEOSLBDXHG-UHFFFAOYSA-N
XLogP0.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-1-ethylsulfonylpyrrolidine
CID 110871924
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)propanoic acid
CID 82747844
1-(2-cyclopropylethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
CID 127941409
(4R,4aS,8aS)-4-methyl-1-methylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 124790308
(3aR,7aS)-1-(trifluoromethylsulfonyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 86276451
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propylpropan-1-amine
CID 82752302
(4aR,8aR)-1-propan-2-ylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102728877
1-(3-chloro-2-methylpropyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82749613
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 82752301
(4aS,8aR)-N-cycloheptyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-sulfonamide
CID 100901387
N-cyclohexyl-2-cyclopentyl-N-methylpyrrolidine-1-sulfonamide
CID 71889779
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3,5-dimethylaniline
CID 82751740

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
The IUPAC name of 1-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole (CID 130741756) is 1-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole.
What is the SMILES notation for 1-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
The canonical SMILES for 1-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole is CS(=O)(=O)N1CCC2CCCC21.
What is the InChIKey of 1-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
The InChIKey is SILPPEOSLBDXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-12(10,11)9-6-5-7-3-2-4-8(7)9/h7-8H,2-6H2,1H3.
What are the key properties of 1-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
1-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole has a molecular weight of 189.28 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole is sourced from PubChem (CID 130741756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).