(3aS,6aS)-N-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxamide

C12H17N3O4S — CID 166288212

IUPAC(3aS,6aS)-N-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxamide
SMILESCn1cnc(S(=O)(=O)NC(=O)C2C[C@@H]3COC[C@H]3C2)c1
InChIInChI=1S/C12H17N3O4S/c1-15-4-11(13-7-15)20(17,18)14-12(16)8-2-9-5-19-6-10(9)3-8/h4,7-10H,2-3,5-6H2,1H3,(H,14,16)/t9-,10-/m1/s1
InChIKeySACBVVDLDDSFLC-NXEZZACHSA-N
MW299.35 g/mol
LogP-0.10
Rot. Bonds3

About (3aS,6aS)-N-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxamide

(3aS,6aS)-N-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxamide (PubChem CID 166288212) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is (3aS,6aS)-N-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxamide.

Molecular Properties

Compound Name(3aS,6aS)-N-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxamide
PubChem CID166288212
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name(3aS,6aS)-N-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxamide
SMILESCn1cnc(S(=O)(=O)NC(=O)C2C[C@@H]3COC[C@H]3C2)c1
InChIInChI=1S/C12H17N3O4S/c1-15-4-11(13-7-15)20(17,18)14-12(16)8-2-9-5-19-6-10(9)3-8/h4,7-10H,2-3,5-6H2,1H3,(H,14,16)/t9-,10-/m1/s1
InChIKeySACBVVDLDDSFLC-NXEZZACHSA-N
XLogP-0.10
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-N-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxamide?
The IUPAC name of (3aS,6aS)-N-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxamide (CID 166288212) is (3aS,6aS)-N-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxamide.
What is the SMILES notation for (3aS,6aS)-N-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxamide?
The canonical SMILES for (3aS,6aS)-N-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxamide is Cn1cnc(S(=O)(=O)NC(=O)C2C[C@@H]3COC[C@H]3C2)c1.
What is the InChIKey of (3aS,6aS)-N-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxamide?
The InChIKey is SACBVVDLDDSFLC-NXEZZACHSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-15-4-11(13-7-15)20(17,18)14-12(16)8-2-9-5-19-6-10(9)3-8/h4,7-10H,2-3,5-6H2,1H3,(H,14,16)/t9-,10-/m1/s1.
What are the key properties of (3aS,6aS)-N-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxamide?
(3aS,6aS)-N-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxamide has a molecular weight of 299.35 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-N-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxamide is sourced from PubChem (CID 166288212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).