N-tert-butyl-N-methylethanesulfonamide

C7H17NO2S — CID 86069933

IUPACN-tert-butyl-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C(C)(C)C
InChIInChI=1S/C7H17NO2S/c1-6-11(9,10)8(5)7(2,3)4/h6H2,1-5H3
InChIKeyJXSHIFBZYKCSHG-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.07
Rot. Bonds2

About N-tert-butyl-N-methylethanesulfonamide

N-tert-butyl-N-methylethanesulfonamide (PubChem CID 86069933) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-tert-butyl-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-methylethanesulfonamide
PubChem CID86069933
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-tert-butyl-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C(C)(C)C
InChIInChI=1S/C7H17NO2S/c1-6-11(9,10)8(5)7(2,3)4/h6H2,1-5H3
InChIKeyJXSHIFBZYKCSHG-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-N-methylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methylethanesulfonamide?
The IUPAC name of N-tert-butyl-N-methylethanesulfonamide (CID 86069933) is N-tert-butyl-N-methylethanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-methylethanesulfonamide?
The canonical SMILES for N-tert-butyl-N-methylethanesulfonamide is CCS(=O)(=O)N(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methylethanesulfonamide?
The InChIKey is JXSHIFBZYKCSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-6-11(9,10)8(5)7(2,3)4/h6H2,1-5H3.
What are the key properties of N-tert-butyl-N-methylethanesulfonamide?
N-tert-butyl-N-methylethanesulfonamide has a molecular weight of 179.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methylethanesulfonamide is sourced from PubChem (CID 86069933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).