N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide

C12H18N2O4S2 — CID 66260767

IUPACN-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCC[C@H]1CO)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H18N2O4S2/c1-13(20(17,18)12-5-3-7-19-12)8-11(16)14-6-2-4-10(14)9-15/h3,5,7,10,15H,2,4,6,8-9H2,1H3/t10-/m0/s1
InChIKeyVPYJLRQVNHLMHL-JTQLQIEISA-N
MW318.42 g/mol
LogP0.35
Rot. Bonds5

About N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide

N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 66260767) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
PubChem CID66260767
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC NameN-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCC[C@H]1CO)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H18N2O4S2/c1-13(20(17,18)12-5-3-7-19-12)8-11(16)14-6-2-4-10(14)9-15/h3,5,7,10,15H,2,4,6,8-9H2,1H3/t10-/m0/s1
InChIKeyVPYJLRQVNHLMHL-JTQLQIEISA-N
XLogP0.35
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61410795
N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 63105109
N-methyl-N-[2-oxo-2-[(2S)-2-(thiophen-2-ylmethyl)azepan-1-yl]ethyl]methanesulfonamide
CID 97061050
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 39086648
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 55483623
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 9169589
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 78767110
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
CID 61411371
N-[4-[2-[(2S)-2-[(2R)-2-hydroxypropyl]pyrrolidin-1-yl]-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
CID 97086808
N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 32771155

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide (CID 66260767) is N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide is CN(CC(=O)N1CCC[C@H]1CO)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is VPYJLRQVNHLMHL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-13(20(17,18)12-5-3-7-19-12)8-11(16)14-6-2-4-10(14)9-15/h3,5,7,10,15H,2,4,6,8-9H2,1H3/t10-/m0/s1.
What are the key properties of N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 318.42 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 66260767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).