N-(2-methylsulfonylethyl)cyclopropanecarboxamide

C7H13NO3S — CID 61066556

IUPACN-(2-methylsulfonylethyl)cyclopropanecarboxamide
SMILESCS(=O)(=O)CCNC(=O)C1CC1
InChIInChI=1S/C7H13NO3S/c1-12(10,11)5-4-8-7(9)6-2-3-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyYWWKCHPLKCMAFF-UHFFFAOYSA-N
MW191.25 g/mol
LogP-0.44
Rot. Bonds4

About N-(2-methylsulfonylethyl)cyclopropanecarboxamide

N-(2-methylsulfonylethyl)cyclopropanecarboxamide (PubChem CID 61066556) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)cyclopropanecarboxamide
PubChem CID61066556
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC NameN-(2-methylsulfonylethyl)cyclopropanecarboxamide
SMILESCS(=O)(=O)CCNC(=O)C1CC1
InChIInChI=1S/C7H13NO3S/c1-12(10,11)5-4-8-7(9)6-2-3-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyYWWKCHPLKCMAFF-UHFFFAOYSA-N
XLogP-0.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylsulfonylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784503
4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106341830
1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110612385
N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide
CID 110345998
N-[2-(methanesulfonamido)ethyl]cyclopentanecarboxamide
CID 36904039
N-[2-(butylsulfonylamino)ethyl]cyclopropanecarboxamide
CID 108573610
2-[(4-oxocyclohexanecarbonyl)amino]ethanesulfonic acid
CID 121297143
1-cyclobutyl-3-(2-methylsulfonylethyl)urea
CID 84522289
N-[2-(2-sulfamoylethylamino)ethyl]cyclopropanecarboxamide
CID 115644272
(3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide
CID 81128243
azane;2-methylsulfonylethylcarbamic acid
CID 174924120
3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114174954

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-methylsulfonylethyl)cyclopropanecarboxamide (CID 61066556) is N-(2-methylsulfonylethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-methylsulfonylethyl)cyclopropanecarboxamide is CS(=O)(=O)CCNC(=O)C1CC1.
What is the InChIKey of N-(2-methylsulfonylethyl)cyclopropanecarboxamide?
The InChIKey is YWWKCHPLKCMAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-12(10,11)5-4-8-7(9)6-2-3-6/h6H,2-5H2,1H3,(H,8,9).
What are the key properties of N-(2-methylsulfonylethyl)cyclopropanecarboxamide?
N-(2-methylsulfonylethyl)cyclopropanecarboxamide has a molecular weight of 191.25 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)cyclopropanecarboxamide is sourced from PubChem (CID 61066556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).