N-cyclohexyl-2-methylsulfonylacetamide

C9H17NO3S — CID 2806038

IUPACN-cyclohexyl-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)NC1CCCCC1
InChIInChI=1S/C9H17NO3S/c1-14(12,13)7-9(11)10-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyYHKYOVYGEAPROV-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.48
Rot. Bonds3

About N-cyclohexyl-2-methylsulfonylacetamide

N-cyclohexyl-2-methylsulfonylacetamide (PubChem CID 2806038) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-cyclohexyl-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methylsulfonylacetamide
PubChem CID2806038
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-cyclohexyl-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)NC1CCCCC1
InChIInChI=1S/C9H17NO3S/c1-14(12,13)7-9(11)10-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyYHKYOVYGEAPROV-UHFFFAOYSA-N
XLogP0.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methylsulfonylacetamide?
The IUPAC name of N-cyclohexyl-2-methylsulfonylacetamide (CID 2806038) is N-cyclohexyl-2-methylsulfonylacetamide.
What is the SMILES notation for N-cyclohexyl-2-methylsulfonylacetamide?
The canonical SMILES for N-cyclohexyl-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-methylsulfonylacetamide?
The InChIKey is YHKYOVYGEAPROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-14(12,13)7-9(11)10-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of N-cyclohexyl-2-methylsulfonylacetamide?
N-cyclohexyl-2-methylsulfonylacetamide has a molecular weight of 219.31 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methylsulfonylacetamide is sourced from PubChem (CID 2806038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).