N-(4-acetylcyclohexyl)ethanesulfonamide

C10H19NO3S — CID 58664372

IUPACN-(4-acetylcyclohexyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(C(C)=O)CC1
InChIInChI=1S/C10H19NO3S/c1-3-15(13,14)11-10-6-4-9(5-7-10)8(2)12/h9-11H,3-7H2,1-2H3
InChIKeyVWNFBAPQYJHTHV-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.07
Rot. Bonds4

About N-(4-acetylcyclohexyl)ethanesulfonamide

N-(4-acetylcyclohexyl)ethanesulfonamide (PubChem CID 58664372) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-(4-acetylcyclohexyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-acetylcyclohexyl)ethanesulfonamide
PubChem CID58664372
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-(4-acetylcyclohexyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(C(C)=O)CC1
InChIInChI=1S/C10H19NO3S/c1-3-15(13,14)11-10-6-4-9(5-7-10)8(2)12/h9-11H,3-7H2,1-2H3
InChIKeyVWNFBAPQYJHTHV-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylcyclohexyl)ethanesulfonamide?
The IUPAC name of N-(4-acetylcyclohexyl)ethanesulfonamide (CID 58664372) is N-(4-acetylcyclohexyl)ethanesulfonamide.
What is the SMILES notation for N-(4-acetylcyclohexyl)ethanesulfonamide?
The canonical SMILES for N-(4-acetylcyclohexyl)ethanesulfonamide is CCS(=O)(=O)NC1CCC(C(C)=O)CC1.
What is the InChIKey of N-(4-acetylcyclohexyl)ethanesulfonamide?
The InChIKey is VWNFBAPQYJHTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-3-15(13,14)11-10-6-4-9(5-7-10)8(2)12/h9-11H,3-7H2,1-2H3.
What are the key properties of N-(4-acetylcyclohexyl)ethanesulfonamide?
N-(4-acetylcyclohexyl)ethanesulfonamide has a molecular weight of 233.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylcyclohexyl)ethanesulfonamide is sourced from PubChem (CID 58664372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).