N-(3-methylbutyl)ethanesulfonamide

C7H17NO2S — CID 3401117

IUPACN-(3-methylbutyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCC(C)C
InChIInChI=1S/C7H17NO2S/c1-4-11(9,10)8-6-5-7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyHWBZKUACIVSYIO-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.97
Rot. Bonds5

About N-(3-methylbutyl)ethanesulfonamide

N-(3-methylbutyl)ethanesulfonamide (PubChem CID 3401117) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-(3-methylbutyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-methylbutyl)ethanesulfonamide
PubChem CID3401117
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-(3-methylbutyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCC(C)C
InChIInChI=1S/C7H17NO2S/c1-4-11(9,10)8-6-5-7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyHWBZKUACIVSYIO-UHFFFAOYSA-N
XLogP0.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)ethanesulfonamide?
The IUPAC name of N-(3-methylbutyl)ethanesulfonamide (CID 3401117) is N-(3-methylbutyl)ethanesulfonamide.
What is the SMILES notation for N-(3-methylbutyl)ethanesulfonamide?
The canonical SMILES for N-(3-methylbutyl)ethanesulfonamide is CCS(=O)(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)ethanesulfonamide?
The InChIKey is HWBZKUACIVSYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-4-11(9,10)8-6-5-7(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of N-(3-methylbutyl)ethanesulfonamide?
N-(3-methylbutyl)ethanesulfonamide has a molecular weight of 179.28 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)ethanesulfonamide is sourced from PubChem (CID 3401117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).