N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide

C12H19N3O3S2 — CID 119698683

IUPACN-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)CC2CCCN2)s1
InChIInChI=1S/C12H19N3O3S2/c1-13-20(17,18)12-5-4-10(19-12)8-15-11(16)7-9-3-2-6-14-9/h4-5,9,13-14H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyWHYBBPZZJXKERM-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.41
Rot. Bonds6

About N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide

N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119698683) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119698683
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC NameN-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)CC2CCCN2)s1
InChIInChI=1S/C12H19N3O3S2/c1-13-20(17,18)12-5-4-10(19-12)8-15-11(16)7-9-3-2-6-14-9/h4-5,9,13-14H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyWHYBBPZZJXKERM-UHFFFAOYSA-N
XLogP0.41
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119698670
2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 119698669
2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119698668
N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 138001558
(2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120920550
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119896093
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119751238
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119707437
2-cyclobutyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 103706432
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
2-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63824820
N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 115160160

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide (CID 119698683) is N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide is CNS(=O)(=O)c1ccc(CNC(=O)CC2CCCN2)s1.
What is the InChIKey of N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is WHYBBPZZJXKERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-13-20(17,18)12-5-4-10(19-12)8-15-11(16)7-9-3-2-6-14-9/h4-5,9,13-14H,2-3,6-8H2,1H3,(H,15,16).
What are the key properties of N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide?
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 317.44 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119698683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).