1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide

C15H24N2O4S — CID 110411749

IUPAC1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C15H24N2O4S/c18-14-8-11(9-17(14)13-4-2-1-3-5-13)15(19)16-12-6-7-22(20,21)10-12/h11-13H,1-10H2,(H,16,19)
InChIKeyBUTOLROGNCRNEJ-UHFFFAOYSA-N
MW328.43 g/mol
LogP0.47
Rot. Bonds3

About 1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide

1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 110411749) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID110411749
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C15H24N2O4S/c18-14-8-11(9-17(14)13-4-2-1-3-5-13)15(19)16-12-6-7-22(20,21)10-12/h11-13H,1-10H2,(H,16,19)
InChIKeyBUTOLROGNCRNEJ-UHFFFAOYSA-N
XLogP0.47
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 110687491
(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
(3R)-N-(2-cyclopentylethyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 94022696
1-(1,1-dioxothian-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 43614759
(3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 95164310
1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 110411836
1-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 51240390
1-(2,6-difluorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192256
(3S)-N-[(S)-cyclohexyl(phenyl)methyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 124792699
1-(2-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952895
(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94015320
1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113182271

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 110411749) is 1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide is O=C(NC1CCS(=O)(=O)C1)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BUTOLROGNCRNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c18-14-8-11(9-17(14)13-4-2-1-3-5-13)15(19)16-12-6-7-22(20,21)10-12/h11-13H,1-10H2,(H,16,19).
What are the key properties of 1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.43 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110411749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).