2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone

C14H21N3O3S — CID 1289654

IUPAC2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone
SMILESCN(C)S(=O)(=O)N(CC(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C14H21N3O3S/c1-15(2)21(19,20)17(13-8-4-3-5-9-13)12-14(18)16-10-6-7-11-16/h3-5,8-9H,6-7,10-12H2,1-2H3
InChIKeyNCSXQMUXMSTYCS-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.92
Rot. Bonds5

About 2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone

2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone (PubChem CID 1289654) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone
PubChem CID1289654
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone
SMILESCN(C)S(=O)(=O)N(CC(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C14H21N3O3S/c1-15(2)21(19,20)17(13-8-4-3-5-9-13)12-14(18)16-10-6-7-11-16/h3-5,8-9H,6-7,10-12H2,1-2H3
InChIKeyNCSXQMUXMSTYCS-UHFFFAOYSA-N
XLogP0.92
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone
CID 2711978
ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate
CID 6456631
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 1138674
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone
CID 53281969
ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate
CID 3546283
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 1148691
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
CID 54808944
1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone
CID 100785212
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 53283438
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-phenoxyphenyl)benzenesulfonamide
CID 1262526
1-[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]piperidine-4-carboxamide
CID 92684224

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone (CID 1289654) is 2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone is CN(C)S(=O)(=O)N(CC(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone?
The InChIKey is NCSXQMUXMSTYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-15(2)21(19,20)17(13-8-4-3-5-9-13)12-14(18)16-10-6-7-11-16/h3-5,8-9H,6-7,10-12H2,1-2H3.
What are the key properties of 2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone?
2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone has a molecular weight of 311.41 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 1289654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).