2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C12H22N2O2S — CID 115560492

IUPAC2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESO=S(=O)(C1CCCNC1)N1CC2CCCC2C1
InChIInChI=1S/C12H22N2O2S/c15-17(16,12-5-2-6-13-7-12)14-8-10-3-1-4-11(10)9-14/h10-13H,1-9H2
InChIKeyLMGXSJRLVBXXNL-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.80
Rot. Bonds2

About 2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 115560492) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID115560492
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESO=S(=O)(C1CCCNC1)N1CC2CCCC2C1
InChIInChI=1S/C12H22N2O2S/c15-17(16,12-5-2-6-13-7-12)14-8-10-3-1-4-11(10)9-14/h10-13H,1-9H2
InChIKeyLMGXSJRLVBXXNL-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole with MolForge

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Related Compounds

2,6-dimethyl-4-piperidin-3-ylsulfonylmorpholine
CID 24700642
2-piperidin-4-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115560497
3-cyclobutylsulfonylpiperidine
CID 115070306
4-methyl-1-piperidin-3-ylsulfonylpiperidin-3-ol
CID 102959688
1-[(3R)-pyrrolidin-3-yl]sulfonylpyrrolidine
CID 96509377
1-ethyl-2-methyl-4-piperidin-3-ylsulfonylpiperazine
CID 63619733
(3S)-3-methylsulfonylpiperidine;hydrochloride
CID 122170301
(2S,6R)-2,6-dimethyl-4-pyrrolidin-3-ylsulfonylmorpholine
CID 104961415
6-cyclopropylsulfonyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680980
1-(1-piperidin-3-ylsulfonylpiperidin-3-yl)piperazin-2-one
CID 136561193
2-piperidin-3-ylsulfonylpyrimidine
CID 71645525
2-methylpropane;piperidine-3-sulfonamide
CID 162108453

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 115560492) is 2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is O=S(=O)(C1CCCNC1)N1CC2CCCC2C1.
What is the InChIKey of 2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is LMGXSJRLVBXXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c15-17(16,12-5-2-6-13-7-12)14-8-10-3-1-4-11(10)9-14/h10-13H,1-9H2.
What are the key properties of 2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 258.39 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 115560492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).