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

C12H22N2O2S — CID 115560497

IUPAC2-piperidin-4-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESO=S(=O)(C1CCNCC1)N1CC2CCCC2C1
InChIInChI=1S/C12H22N2O2S/c15-17(16,12-4-6-13-7-5-12)14-8-10-2-1-3-11(10)9-14/h10-13H,1-9H2
InChIKeyDVMGWPSKWXMMEA-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.80
Rot. Bonds2

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

2-piperidin-4-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 115560497) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-piperidin-4-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-piperidin-4-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID115560497
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name2-piperidin-4-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESO=S(=O)(C1CCNCC1)N1CC2CCCC2C1
InChIInChI=1S/C12H22N2O2S/c15-17(16,12-4-6-13-7-5-12)14-8-10-2-1-3-11(10)9-14/h10-13H,1-9H2
InChIKeyDVMGWPSKWXMMEA-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

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-piperidin-4-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 115560497) is 2-piperidin-4-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-piperidin-4-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-piperidin-4-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is O=S(=O)(C1CCNCC1)N1CC2CCCC2C1.
What is the InChIKey of 2-piperidin-4-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is DVMGWPSKWXMMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c15-17(16,12-4-6-13-7-5-12)14-8-10-2-1-3-11(10)9-14/h10-13H,1-9H2.
What are the key properties of 2-piperidin-4-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-piperidin-4-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-4-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 115560497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).