N-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide

C12H17N3O2S — CID 95981640

IUPACN-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide
SMILESC[C@H]1C[C@@H](c2ccsc2)CN1CC(=O)NC(N)=O
InChIInChI=1S/C12H17N3O2S/c1-8-4-10(9-2-3-18-7-9)5-15(8)6-11(16)14-12(13)17/h2-3,7-8,10H,4-6H2,1H3,(H3,13,14,16,17)/t8-,10+/m0/s1
InChIKeyOULXZTHRXMWCLX-WCBMZHEXSA-N
MW267.35 g/mol
LogP1.12
Rot. Bonds3

About N-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide

N-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide (PubChem CID 95981640) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide
PubChem CID95981640
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide
SMILESC[C@H]1C[C@@H](c2ccsc2)CN1CC(=O)NC(N)=O
InChIInChI=1S/C12H17N3O2S/c1-8-4-10(9-2-3-18-7-9)5-15(8)6-11(16)14-12(13)17/h2-3,7-8,10H,4-6H2,1H3,(H3,13,14,16,17)/t8-,10+/m0/s1
InChIKeyOULXZTHRXMWCLX-WCBMZHEXSA-N
XLogP1.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide 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

1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone
CID 95981641
2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 124799322
2-[[2-[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]acetyl]amino]acetic acid
CID 99777227
N-[(2R)-1-[(2S,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 95775954
2-(2-methyl-4-phenylpyrrolidin-1-yl)acetic acid
CID 119135565
2-[1-(methylsulfonylmethyl)cyclopropyl]-1-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone
CID 99848007
1-(2-methyl-4-thiophen-3-ylpyrrolidin-1-yl)-3-(3-nitrophenyl)propan-1-one
CID 86778847
(2S)-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 95776079
2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 124686454
(2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124860071
N-carbamoyl-2-(2-thiophen-3-ylethylamino)acetamide
CID 60976114
2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide
CID 169114365

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide (CID 95981640) is N-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide is C[C@H]1C[C@@H](c2ccsc2)CN1CC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide?
The InChIKey is OULXZTHRXMWCLX-WCBMZHEXSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8-4-10(9-2-3-18-7-9)5-15(8)6-11(16)14-12(13)17/h2-3,7-8,10H,4-6H2,1H3,(H3,13,14,16,17)/t8-,10+/m0/s1.
What are the key properties of N-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide?
N-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide has a molecular weight of 267.35 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95981640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).