N-(3,3,5-trimethylcyclohexyl)methanesulfonamide

C10H21NO2S — CID 19682032

IUPACN-(3,3,5-trimethylcyclohexyl)methanesulfonamide
SMILESCC1CC(NS(C)(=O)=O)CC(C)(C)C1
InChIInChI=1S/C10H21NO2S/c1-8-5-9(11-14(4,12)13)7-10(2,3)6-8/h8-9,11H,5-7H2,1-4H3
InChIKeyGVUAIIUMEBJGED-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.75
Rot. Bonds2

About N-(3,3,5-trimethylcyclohexyl)methanesulfonamide

N-(3,3,5-trimethylcyclohexyl)methanesulfonamide (PubChem CID 19682032) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(3,3,5-trimethylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,3,5-trimethylcyclohexyl)methanesulfonamide
PubChem CID19682032
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(3,3,5-trimethylcyclohexyl)methanesulfonamide
SMILESCC1CC(NS(C)(=O)=O)CC(C)(C)C1
InChIInChI=1S/C10H21NO2S/c1-8-5-9(11-14(4,12)13)7-10(2,3)6-8/h8-9,11H,5-7H2,1-4H3
InChIKeyGVUAIIUMEBJGED-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,5-trimethylcyclohexyl)methanesulfonamide?
The IUPAC name of N-(3,3,5-trimethylcyclohexyl)methanesulfonamide (CID 19682032) is N-(3,3,5-trimethylcyclohexyl)methanesulfonamide.
What is the SMILES notation for N-(3,3,5-trimethylcyclohexyl)methanesulfonamide?
The canonical SMILES for N-(3,3,5-trimethylcyclohexyl)methanesulfonamide is CC1CC(NS(C)(=O)=O)CC(C)(C)C1.
What is the InChIKey of N-(3,3,5-trimethylcyclohexyl)methanesulfonamide?
The InChIKey is GVUAIIUMEBJGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8-5-9(11-14(4,12)13)7-10(2,3)6-8/h8-9,11H,5-7H2,1-4H3.
What are the key properties of N-(3,3,5-trimethylcyclohexyl)methanesulfonamide?
N-(3,3,5-trimethylcyclohexyl)methanesulfonamide has a molecular weight of 219.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,5-trimethylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 19682032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).