N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane

C9H23NO2S — CID 165393832

IUPACN-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane
SMILESCC.CC(NS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C7H17NO2S.C2H6/c1-6(7(2,3)4)8-11(5,9)10;1-2/h6,8H,1-5H3;1-2H3
InChIKeyGOCYSBOXHHEGOU-UHFFFAOYSA-N
MW209.35 g/mol
LogP2.00
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane

N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane (PubChem CID 165393832) has the molecular formula C9H23NO2S and a molecular weight of 209.35 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane
PubChem CID165393832
Molecular FormulaC9H23NO2S
Molecular Weight209.35 g/mol
Exact Mass209.14
IUPAC NameN-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane
SMILESCC.CC(NS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C7H17NO2S.C2H6/c1-6(7(2,3)4)8-11(5,9)10;1-2/h6,8H,1-5H3;1-2H3
InChIKeyGOCYSBOXHHEGOU-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane 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-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane (CID 165393832) is N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane is CC.CC(NS(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane?
The InChIKey is GOCYSBOXHHEGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S.C2H6/c1-6(7(2,3)4)8-11(5,9)10;1-2/h6,8H,1-5H3;1-2H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane?
N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane has a molecular weight of 209.35 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)methanesulfonamide;ethane is sourced from PubChem (CID 165393832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).