(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide

C12H18N2OS — CID 61178552

IUPAC(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(Cc1cccs1)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C12H18N2OS/c1-9(8-10-4-3-7-16-10)14-12(15)11-5-2-6-13-11/h3-4,7,9,11,13H,2,5-6,8H2,1H3,(H,14,15)/t9?,11-/m0/s1
InChIKeyFZMTVRVOCWEGML-UMJHXOGRSA-N
MW238.36 g/mol
LogP1.55
Rot. Bonds4

About (2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide

(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 61178552) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is (2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide
PubChem CID61178552
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(Cc1cccs1)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C12H18N2OS/c1-9(8-10-4-3-7-16-10)14-12(15)11-5-2-6-13-11/h3-4,7,9,11,13H,2,5-6,8H2,1H3,(H,14,15)/t9?,11-/m0/s1
InChIKeyFZMTVRVOCWEGML-UMJHXOGRSA-N
XLogP1.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-2-carboxamide
CID 114428230
N-[(2R)-1-thiophen-2-ylpropan-2-yl]cyclobutanecarboxamide
CID 51897806
(2R)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 93263831
cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091889
3-piperidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 62212619
2-amino-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 64824515
N-(1-thiophen-2-ylethyl)azepane-2-carboxamide
CID 64563977
N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide
CID 54962408
N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 119294903
(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 96510056
5-pyrrolidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 104970929
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119295645

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide (CID 61178552) is (2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide is CC(Cc1cccs1)NC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is FZMTVRVOCWEGML-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9(8-10-4-3-7-16-10)14-12(15)11-5-2-6-13-11/h3-4,7,9,11,13H,2,5-6,8H2,1H3,(H,14,15)/t9?,11-/m0/s1.
What are the key properties of (2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide?
(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61178552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).