(2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

C13H20N2OS — CID 92500047

IUPAC(2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C13H20N2OS/c1-10(2)9-14-13(16)15-7-3-5-11(15)12-6-4-8-17-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyODSOENXHSLUKLT-NSHDSACASA-N
MW252.38 g/mol
LogP3.25
Rot. Bonds3

About (2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

(2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 92500047) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID92500047
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C13H20N2OS/c1-10(2)9-14-13(16)15-7-3-5-11(15)12-6-4-8-17-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyODSOENXHSLUKLT-NSHDSACASA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Methyl-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-4-yl)urea
CID 2832751
1-Cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 2999174
1-Cyclohexyl-3-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea
CID 9550501
N-benzyl-N'-isopropyl-N-(2-thienylmethyl)urea
CID 2726750
1-Cyclohexyl-3-(thiophen-2-ylmethyl)urea
CID 649999
Dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium
CID 53350242
1-Cyclohexyl-3-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea
CID 5310349
4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 47046097
N-(3-methyl-1-thiophen-2-ylbutyl)propanamide
CID 51089364
1-[1-(2-Thiophen-2-ylethyl)piperidin-4-yl]imidazolidin-2-one
CID 53622057
2-[2-[(3-Methyl-1-thiophen-2-ylbutyl)amino]-2-oxoethyl]sulfanylacetamide
CID 56822561
1-(2-Ethylsulfonylethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea
CID 71933688

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 92500047) is (2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is CC(C)CNC(=O)N1CCC[C@H]1c1cccs1.
What is the InChIKey of (2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is ODSOENXHSLUKLT-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10(2)9-14-13(16)15-7-3-5-11(15)12-6-4-8-17-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
(2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 92500047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).