1-cyclohexyl-5-oxo-N-thiophen-3-ylsulfonylpyrrolidine-3-carboxamide

C15H20N2O4S2 — CID 136515736

IUPAC1-cyclohexyl-5-oxo-N-thiophen-3-ylsulfonylpyrrolidine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccsc1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C15H20N2O4S2/c18-14-8-11(9-17(14)12-4-2-1-3-5-12)15(19)16-23(20,21)13-6-7-22-10-13/h6-7,10-12H,1-5,8-9H2,(H,16,19)
InChIKeyHJHCBWWGBSKPLL-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.73
Rot. Bonds4

About 1-cyclohexyl-5-oxo-N-thiophen-3-ylsulfonylpyrrolidine-3-carboxamide

1-cyclohexyl-5-oxo-N-thiophen-3-ylsulfonylpyrrolidine-3-carboxamide (PubChem CID 136515736) has the molecular formula C15H20N2O4S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-cyclohexyl-5-oxo-N-thiophen-3-ylsulfonylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-oxo-N-thiophen-3-ylsulfonylpyrrolidine-3-carboxamide
PubChem CID136515736
Molecular FormulaC15H20N2O4S2
Molecular Weight356.47 g/mol
Exact Mass356.09
IUPAC Name1-cyclohexyl-5-oxo-N-thiophen-3-ylsulfonylpyrrolidine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccsc1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C15H20N2O4S2/c18-14-8-11(9-17(14)12-4-2-1-3-5-12)15(19)16-23(20,21)13-6-7-22-10-13/h6-7,10-12H,1-5,8-9H2,(H,16,19)
InChIKeyHJHCBWWGBSKPLL-UHFFFAOYSA-N
XLogP1.73
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide
CID 94186669
N-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 47824015
1-cyclohexyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-5-oxopyrrolidine-3-carboxamide
CID 136536036
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110612385
(3S)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 7336952
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
1-cyclopentyl-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 17081286
(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193
(3S)-1-cyclohexyl-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 51698449
1-cyclopentyl-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide
CID 17081269
(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-oxo-N-thiophen-3-ylsulfonylpyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-5-oxo-N-thiophen-3-ylsulfonylpyrrolidine-3-carboxamide (CID 136515736) is 1-cyclohexyl-5-oxo-N-thiophen-3-ylsulfonylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-oxo-N-thiophen-3-ylsulfonylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-oxo-N-thiophen-3-ylsulfonylpyrrolidine-3-carboxamide is O=C(NS(=O)(=O)c1ccsc1)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-5-oxo-N-thiophen-3-ylsulfonylpyrrolidine-3-carboxamide?
The InChIKey is HJHCBWWGBSKPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S2/c18-14-8-11(9-17(14)12-4-2-1-3-5-12)15(19)16-23(20,21)13-6-7-22-10-13/h6-7,10-12H,1-5,8-9H2,(H,16,19).
What are the key properties of 1-cyclohexyl-5-oxo-N-thiophen-3-ylsulfonylpyrrolidine-3-carboxamide?
1-cyclohexyl-5-oxo-N-thiophen-3-ylsulfonylpyrrolidine-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-oxo-N-thiophen-3-ylsulfonylpyrrolidine-3-carboxamide is sourced from PubChem (CID 136515736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).