(2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C11H14N2O4S2 — CID 94188023

IUPAC(2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C11H14N2O4S2/c1-19(16,17)12-10(14)8-4-2-6-13(8)11(15)9-5-3-7-18-9/h3,5,7-8H,2,4,6H2,1H3,(H,12,14)/t8-/m1/s1
InChIKeyUPQAJYMELGPPDD-MRVPVSSYSA-N
MW302.38 g/mol
LogP0.43
Rot. Bonds3

About (2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 94188023) has the molecular formula C11H14N2O4S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID94188023
Molecular FormulaC11H14N2O4S2
Molecular Weight302.38 g/mol
Exact Mass302.04
IUPAC Name(2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C11H14N2O4S2/c1-19(16,17)12-10(14)8-4-2-6-13(8)11(15)9-5-3-7-18-9/h3,5,7-8H,2,4,6H2,1H3,(H,12,14)/t8-/m1/s1
InChIKeyUPQAJYMELGPPDD-MRVPVSSYSA-N
XLogP0.43
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N'-(4-methylsulfonylbenzoyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide
CID 39049673
(2S)-N-(1-methylsulfonylpiperidin-3-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 47910031
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 92954382
ethyl N-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]carbamate
CID 55929773
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 18225954
(2S)-N-(3,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 1203465
2-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119224134
(2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2089690
2-[[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119348963

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 94188023) is (2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is CS(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is UPQAJYMELGPPDD-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N2O4S2/c1-19(16,17)12-10(14)8-4-2-6-13(8)11(15)9-5-3-7-18-9/h3,5,7-8H,2,4,6H2,1H3,(H,12,14)/t8-/m1/s1.
What are the key properties of (2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 94188023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).