N-(3,3-dimethylbutyl)ethanesulfonamide

C8H19NO2S — CID 58530542

IUPACN-(3,3-dimethylbutyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCC(C)(C)C
InChIInChI=1S/C8H19NO2S/c1-5-12(10,11)9-7-6-8(2,3)4/h9H,5-7H2,1-4H3
InChIKeyOYCAJMVJFJRMNV-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.36
Rot. Bonds4

About N-(3,3-dimethylbutyl)ethanesulfonamide

N-(3,3-dimethylbutyl)ethanesulfonamide (PubChem CID 58530542) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)ethanesulfonamide
PubChem CID58530542
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-(3,3-dimethylbutyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCC(C)(C)C
InChIInChI=1S/C8H19NO2S/c1-5-12(10,11)9-7-6-8(2,3)4/h9H,5-7H2,1-4H3
InChIKeyOYCAJMVJFJRMNV-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)ethanesulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)ethanesulfonamide (CID 58530542) is N-(3,3-dimethylbutyl)ethanesulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)ethanesulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)ethanesulfonamide is CCS(=O)(=O)NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)ethanesulfonamide?
The InChIKey is OYCAJMVJFJRMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-5-12(10,11)9-7-6-8(2,3)4/h9H,5-7H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)ethanesulfonamide?
N-(3,3-dimethylbutyl)ethanesulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)ethanesulfonamide is sourced from PubChem (CID 58530542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).