N-[2-(4,4-dimethylcyclohexyl)-2-methylpropyl]methanesulfonamide

C13H27NO2S — CID 18713993

IUPACN-[2-(4,4-dimethylcyclohexyl)-2-methylpropyl]methanesulfonamide
SMILESCC1(C)CCC(C(C)(C)CNS(C)(=O)=O)CC1
InChIInChI=1S/C13H27NO2S/c1-12(2)8-6-11(7-9-12)13(3,4)10-14-17(5,15)16/h11,14H,6-10H2,1-5H3
InChIKeyILMUKRSZHVZVAJ-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.78
Rot. Bonds4

About N-[2-(4,4-dimethylcyclohexyl)-2-methylpropyl]methanesulfonamide

N-[2-(4,4-dimethylcyclohexyl)-2-methylpropyl]methanesulfonamide (PubChem CID 18713993) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexyl)-2-methylpropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4,4-dimethylcyclohexyl)-2-methylpropyl]methanesulfonamide
PubChem CID18713993
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-[2-(4,4-dimethylcyclohexyl)-2-methylpropyl]methanesulfonamide
SMILESCC1(C)CCC(C(C)(C)CNS(C)(=O)=O)CC1
InChIInChI=1S/C13H27NO2S/c1-12(2)8-6-11(7-9-12)13(3,4)10-14-17(5,15)16/h11,14H,6-10H2,1-5H3
InChIKeyILMUKRSZHVZVAJ-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylcyclohexyl)-2-methylpropyl]methanesulfonamide?
The IUPAC name of N-[2-(4,4-dimethylcyclohexyl)-2-methylpropyl]methanesulfonamide (CID 18713993) is N-[2-(4,4-dimethylcyclohexyl)-2-methylpropyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4,4-dimethylcyclohexyl)-2-methylpropyl]methanesulfonamide?
The canonical SMILES for N-[2-(4,4-dimethylcyclohexyl)-2-methylpropyl]methanesulfonamide is CC1(C)CCC(C(C)(C)CNS(C)(=O)=O)CC1.
What is the InChIKey of N-[2-(4,4-dimethylcyclohexyl)-2-methylpropyl]methanesulfonamide?
The InChIKey is ILMUKRSZHVZVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-12(2)8-6-11(7-9-12)13(3,4)10-14-17(5,15)16/h11,14H,6-10H2,1-5H3.
What are the key properties of N-[2-(4,4-dimethylcyclohexyl)-2-methylpropyl]methanesulfonamide?
N-[2-(4,4-dimethylcyclohexyl)-2-methylpropyl]methanesulfonamide has a molecular weight of 261.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylcyclohexyl)-2-methylpropyl]methanesulfonamide is sourced from PubChem (CID 18713993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).