2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C12H19N3O2S — CID 115561063

IUPAC2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCCc1ncc(S(=O)(=O)N2CC3CCCC3C2)[nH]1
InChIInChI=1S/C12H19N3O2S/c1-2-11-13-6-12(14-11)18(16,17)15-7-9-4-3-5-10(9)8-15/h6,9-10H,2-5,7-8H2,1H3,(H,13,14)
InChIKeyYHOJFDSLJQLVSH-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.39
Rot. Bonds3

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

2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 115561063) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID115561063
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCCc1ncc(S(=O)(=O)N2CC3CCCC3C2)[nH]1
InChIInChI=1S/C12H19N3O2S/c1-2-11-13-6-12(14-11)18(16,17)15-7-9-4-3-5-10(9)8-15/h6,9-10H,2-5,7-8H2,1H3,(H,13,14)
InChIKeyYHOJFDSLJQLVSH-UHFFFAOYSA-N
XLogP1.39
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 115561063) is 2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CCc1ncc(S(=O)(=O)N2CC3CCCC3C2)[nH]1.
What is the InChIKey of 2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is YHOJFDSLJQLVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-11-13-6-12(14-11)18(16,17)15-7-9-4-3-5-10(9)8-15/h6,9-10H,2-5,7-8H2,1H3,(H,13,14).
What are the key properties of 2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 269.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 115561063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).