(2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C15H19N3O3S — CID 18163760

IUPAC(2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)NC1CC1
InChIInChI=1S/C15H19N3O3S/c19-13(17-10-5-6-10)9-16-14(20)11-3-1-7-18(11)15(21)12-4-2-8-22-12/h2,4,8,10-11H,1,3,5-7,9H2,(H,16,20)(H,17,19)/t11-/m0/s1
InChIKeyJHPBNZJJVHICQU-NSHDSACASA-N
MW321.40 g/mol
LogP0.75
Rot. Bonds5

About (2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 18163760) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is (2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID18163760
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name(2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)NC1CC1
InChIInChI=1S/C15H19N3O3S/c19-13(17-10-5-6-10)9-16-14(20)11-3-1-7-18(11)15(21)12-4-2-8-22-12/h2,4,8,10-11H,1,3,5-7,9H2,(H,16,20)(H,17,19)/t11-/m0/s1
InChIKeyJHPBNZJJVHICQU-NSHDSACASA-N
XLogP0.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
N-(4-hydroxycyclohexyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844706
N-cyclopropyl-1-[2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-2-carboxamide
CID 136526356
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
(2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 8927607
N-piperidin-4-yl-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119386471
N-[(2-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406464
(2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55980543
(2R)-N-[[(2R)-thiolan-2-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 124573724
(2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 94188023
tert-butyl N-[2-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]ethyl]carbamate
CID 47082171

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 18163760) is (2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is O=C(CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)NC1CC1.
What is the InChIKey of (2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is JHPBNZJJVHICQU-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O3S/c19-13(17-10-5-6-10)9-16-14(20)11-3-1-7-18(11)15(21)12-4-2-8-22-12/h2,4,8,10-11H,1,3,5-7,9H2,(H,16,20)(H,17,19)/t11-/m0/s1.
What are the key properties of (2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 18163760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).