1-cyclohexyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-5-oxopyrrolidine-3-carboxamide

C15H21N3O4S2 — CID 136536036

IUPAC1-cyclohexyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ncc(S(=O)(=O)NC(=O)C2CC(=O)N(C3CCCCC3)C2)s1
InChIInChI=1S/C15H21N3O4S2/c1-10-16-8-14(23-10)24(21,22)17-15(20)11-7-13(19)18(9-11)12-5-3-2-4-6-12/h8,11-12H,2-7,9H2,1H3,(H,17,20)
InChIKeyKNZRPJJRDPMUFC-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.44
Rot. Bonds4

About 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-5-oxopyrrolidine-3-carboxamide

1-cyclohexyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 136536036) has the molecular formula C15H21N3O4S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID136536036
Molecular FormulaC15H21N3O4S2
Molecular Weight371.48 g/mol
Exact Mass371.10
IUPAC Name1-cyclohexyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ncc(S(=O)(=O)NC(=O)C2CC(=O)N(C3CCCCC3)C2)s1
InChIInChI=1S/C15H21N3O4S2/c1-10-16-8-14(23-10)24(21,22)17-15(20)11-7-13(19)18(9-11)12-5-3-2-4-6-12/h8,11-12H,2-7,9H2,1H3,(H,17,20)
InChIKeyKNZRPJJRDPMUFC-UHFFFAOYSA-N
XLogP1.44
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide
CID 94186669
1-cyclohexyl-5-oxo-N-thiophen-3-ylsulfonylpyrrolidine-3-carboxamide
CID 136515736
1-cyclohexyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2991661
1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110612385
1-cyclopentyl-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 17081286
(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
1-cyclohexyl-N-[2-(methylsulfamoyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110631722
N-[4-[(carbamoylamino)methyl]phenyl]sulfonyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 47824015
(3S)-1-cyclohexyl-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 40636624
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-5-oxopyrrolidine-3-carboxamide (CID 136536036) is 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-5-oxopyrrolidine-3-carboxamide is Cc1ncc(S(=O)(=O)NC(=O)C2CC(=O)N(C3CCCCC3)C2)s1.
What is the InChIKey of 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KNZRPJJRDPMUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S2/c1-10-16-8-14(23-10)24(21,22)17-15(20)11-7-13(19)18(9-11)12-5-3-2-4-6-12/h8,11-12H,2-7,9H2,1H3,(H,17,20).
What are the key properties of 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 136536036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).