N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide

C9H14N2O4S — CID 110387755

IUPACN-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1C(=O)CCC1C(=O)NC1CC1
InChIInChI=1S/C9H14N2O4S/c1-16(14,15)11-7(4-5-8(11)12)9(13)10-6-2-3-6/h6-7H,2-5H2,1H3,(H,10,13)
InChIKeyUXORSYYHAPDZAN-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.78
Rot. Bonds3

About N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide

N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 110387755) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
PubChem CID110387755
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC NameN-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1C(=O)CCC1C(=O)NC1CC1
InChIInChI=1S/C9H14N2O4S/c1-16(14,15)11-7(4-5-8(11)12)9(13)10-6-2-3-6/h6-7H,2-5H2,1H3,(H,10,13)
InChIKeyUXORSYYHAPDZAN-UHFFFAOYSA-N
XLogP-0.78
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 110387754
(2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 27260603
1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide
CID 110387753
N-(2-methoxyethyl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
CID 110387766
1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide
CID 53008162
1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide
CID 110387732
N-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
CID 110387889
(2S)-N-cyclooctyl-1-(3,4-dimethylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 95074305
1-cyclopentyl-N-cyclopropyl-5-oxopyrrolidine-2-carboxamide
CID 3237546
1-methylsulfonyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110387791
(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568
(2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95739460

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide (CID 110387755) is N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide is CS(=O)(=O)N1C(=O)CCC1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UXORSYYHAPDZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-16(14,15)11-7(4-5-8(11)12)9(13)10-6-2-3-6/h6-7H,2-5H2,1H3,(H,10,13).
What are the key properties of N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide?
N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 246.29 g/mol, XLogP of -0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110387755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).