N-[4-(2-methylpropyl)cyclohexyl]methanesulfonamide

C11H23NO2S — CID 59460867

IUPACN-[4-(2-methylpropyl)cyclohexyl]methanesulfonamide
SMILESCC(C)CC1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C11H23NO2S/c1-9(2)8-10-4-6-11(7-5-10)12-15(3,13)14/h9-12H,4-8H2,1-3H3
InChIKeyJJYVIJWGAVMLBS-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.14
Rot. Bonds4

About N-[4-(2-methylpropyl)cyclohexyl]methanesulfonamide

N-[4-(2-methylpropyl)cyclohexyl]methanesulfonamide (PubChem CID 59460867) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-[4-(2-methylpropyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methylpropyl)cyclohexyl]methanesulfonamide
PubChem CID59460867
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-[4-(2-methylpropyl)cyclohexyl]methanesulfonamide
SMILESCC(C)CC1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C11H23NO2S/c1-9(2)8-10-4-6-11(7-5-10)12-15(3,13)14/h9-12H,4-8H2,1-3H3
InChIKeyJJYVIJWGAVMLBS-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropyl)cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-(2-methylpropyl)cyclohexyl]methanesulfonamide (CID 59460867) is N-[4-(2-methylpropyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-methylpropyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-methylpropyl)cyclohexyl]methanesulfonamide is CC(C)CC1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[4-(2-methylpropyl)cyclohexyl]methanesulfonamide?
The InChIKey is JJYVIJWGAVMLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9(2)8-10-4-6-11(7-5-10)12-15(3,13)14/h9-12H,4-8H2,1-3H3.
What are the key properties of N-[4-(2-methylpropyl)cyclohexyl]methanesulfonamide?
N-[4-(2-methylpropyl)cyclohexyl]methanesulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 59460867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).