N-(2-methylsulfonylethyl)cyclohexanecarboxamide

C10H19NO3S — CID 91299757

IUPACN-(2-methylsulfonylethyl)cyclohexanecarboxamide
SMILESCS(=O)(=O)CCNC(=O)C1CCCCC1
InChIInChI=1S/C10H19NO3S/c1-15(13,14)8-7-11-10(12)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyNTUYRHRRCIVQLW-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.73
Rot. Bonds4

About N-(2-methylsulfonylethyl)cyclohexanecarboxamide

N-(2-methylsulfonylethyl)cyclohexanecarboxamide (PubChem CID 91299757) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)cyclohexanecarboxamide
PubChem CID91299757
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-(2-methylsulfonylethyl)cyclohexanecarboxamide
SMILESCS(=O)(=O)CCNC(=O)C1CCCCC1
InChIInChI=1S/C10H19NO3S/c1-15(13,14)8-7-11-10(12)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyNTUYRHRRCIVQLW-UHFFFAOYSA-N
XLogP0.73
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-methylsulfonylethyl)cyclohexanecarboxamide (CID 91299757) is N-(2-methylsulfonylethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-methylsulfonylethyl)cyclohexanecarboxamide is CS(=O)(=O)CCNC(=O)C1CCCCC1.
What is the InChIKey of N-(2-methylsulfonylethyl)cyclohexanecarboxamide?
The InChIKey is NTUYRHRRCIVQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-15(13,14)8-7-11-10(12)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,11,12).
What are the key properties of N-(2-methylsulfonylethyl)cyclohexanecarboxamide?
N-(2-methylsulfonylethyl)cyclohexanecarboxamide has a molecular weight of 233.33 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)cyclohexanecarboxamide is sourced from PubChem (CID 91299757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).