(3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide

C14H18N2O2S — CID 94181767

IUPAC(3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ccsc1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C14H18N2O2S/c1-15(7-10-4-5-19-9-10)14(18)11-6-13(17)16(8-11)12-2-3-12/h4-5,9,11-12H,2-3,6-8H2,1H3/t11-/m1/s1
InChIKeyWGQXXBHCMGGIKL-LLVKDONJSA-N
MW278.38 g/mol
LogP1.72
Rot. Bonds4

About (3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide

(3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 94181767) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID94181767
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name(3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ccsc1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C14H18N2O2S/c1-15(7-10-4-5-19-9-10)14(18)11-6-13(17)16(8-11)12-2-3-12/h4-5,9,11-12H,2-3,6-8H2,1H3/t11-/m1/s1
InChIKeyWGQXXBHCMGGIKL-LLVKDONJSA-N
XLogP1.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42917812
1-cyclopropyl-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 70775095
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819
1-cyclopentyl-N-methyl-N-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 46654933
N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46110134
(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 25360307
(3S)-1-cyclopropyl-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97147806
2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119172024
1-cyclopropyl-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 56787202
1-cyclopentyl-N-methyl-5-oxo-N-(quinoxalin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 70738906
(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 95280942
(3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 99775238

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide (CID 94181767) is (3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide is CN(Cc1ccsc1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is WGQXXBHCMGGIKL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-15(7-10-4-5-19-9-10)14(18)11-6-13(17)16(8-11)12-2-3-12/h4-5,9,11-12H,2-3,6-8H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide?
(3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 94181767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).