2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride

C12H20ClN3O3S2 — CID 119698668

IUPAC2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(CNC(=O)CNCC2CC2)s1.Cl
InChIInChI=1S/C12H19N3O3S2.ClH/c1-13-20(17,18)12-5-4-10(19-12)7-15-11(16)8-14-6-9-2-3-9;/h4-5,9,13-14H,2-3,6-8H2,1H3,(H,15,16);1H
InChIKeyFGIKPRGYWMCACE-UHFFFAOYSA-N
MW353.90 g/mol
LogP0.69
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride (PubChem CID 119698668) has the molecular formula C12H20ClN3O3S2 and a molecular weight of 353.90 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride
PubChem CID119698668
Molecular FormulaC12H20ClN3O3S2
Molecular Weight353.90 g/mol
Exact Mass353.06
IUPAC Name2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(CNC(=O)CNCC2CC2)s1.Cl
InChIInChI=1S/C12H19N3O3S2.ClH/c1-13-20(17,18)12-5-4-10(19-12)7-15-11(16)8-14-6-9-2-3-9;/h4-5,9,13-14H,2-3,6-8H2,1H3,(H,15,16);1H
InChIKeyFGIKPRGYWMCACE-UHFFFAOYSA-N
XLogP0.69
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride (CID 119698668) is 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride is CNS(=O)(=O)c1ccc(CNC(=O)CNCC2CC2)s1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride?
The InChIKey is FGIKPRGYWMCACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2.ClH/c1-13-20(17,18)12-5-4-10(19-12)7-15-11(16)8-14-6-9-2-3-9;/h4-5,9,13-14H,2-3,6-8H2,1H3,(H,15,16);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride has a molecular weight of 353.90 g/mol, XLogP of 0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119698668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).