[(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide

C13H18N2O4S2 — CID 125174451

IUPAC[(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCC(=O)c1cc(CC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cs1
InChIInChI=1S/C13H18N2O4S2/c1-9(16)12-4-11(7-20-12)5-13(17)15-3-2-10(6-15)8-21(14,18)19/h4,7,10H,2-3,5-6,8H2,1H3,(H2,14,18,19)/t10-/m1/s1
InChIKeyFAYQPTMWKMNXAW-SNVBAGLBSA-N
MW330.43 g/mol
LogP0.63
Rot. Bonds5

About [(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide

[(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 125174451) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID125174451
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC Name[(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCC(=O)c1cc(CC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cs1
InChIInChI=1S/C13H18N2O4S2/c1-9(16)12-4-11(7-20-12)5-13(17)15-3-2-10(6-15)8-21(14,18)19/h4,7,10H,2-3,5-6,8H2,1H3,(H2,14,18,19)/t10-/m1/s1
InChIKeyFAYQPTMWKMNXAW-SNVBAGLBSA-N
XLogP0.63
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-oxo-2-[3-(sulfamoylmethyl)pyrrolidin-1-yl]ethyl]thiophene-2-carboxylic acid
CID 167933649
2-(5-acetylthiophen-3-yl)-1-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 72896877
3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide
CID 45186054
1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone
CID 70780899
2-(5-acetylthiophen-3-yl)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 70766776
2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70744213
2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone
CID 74243874
2-(5-acetylthiophen-3-yl)-1-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]ethanone
CID 118793205
[(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 96515234
2-[2-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72844240
9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
CID 171910779
[(3S)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 125161180

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide (CID 125174451) is [(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide is CC(=O)c1cc(CC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cs1.
What is the InChIKey of [(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is FAYQPTMWKMNXAW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c1-9(16)12-4-11(7-20-12)5-13(17)15-3-2-10(6-15)8-21(14,18)19/h4,7,10H,2-3,5-6,8H2,1H3,(H2,14,18,19)/t10-/m1/s1.
What are the key properties of [(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide?
[(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 330.43 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 125174451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).