N-(2-methylpropyl)ethanesulfonamide

C6H15NO2S — CID 5159392

IUPACN-(2-methylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC(C)C
InChIInChI=1S/C6H15NO2S/c1-4-10(8,9)7-5-6(2)3/h6-7H,4-5H2,1-3H3
InChIKeyBRQMYUTYTCOSRF-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.58
Rot. Bonds4

About N-(2-methylpropyl)ethanesulfonamide

N-(2-methylpropyl)ethanesulfonamide (PubChem CID 5159392) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-(2-methylpropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)ethanesulfonamide
PubChem CID5159392
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-(2-methylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC(C)C
InChIInChI=1S/C6H15NO2S/c1-4-10(8,9)7-5-6(2)3/h6-7H,4-5H2,1-3H3
InChIKeyBRQMYUTYTCOSRF-UHFFFAOYSA-N
XLogP0.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)ethanesulfonamide?
The IUPAC name of N-(2-methylpropyl)ethanesulfonamide (CID 5159392) is N-(2-methylpropyl)ethanesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)ethanesulfonamide?
The canonical SMILES for N-(2-methylpropyl)ethanesulfonamide is CCS(=O)(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)ethanesulfonamide?
The InChIKey is BRQMYUTYTCOSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-4-10(8,9)7-5-6(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of N-(2-methylpropyl)ethanesulfonamide?
N-(2-methylpropyl)ethanesulfonamide has a molecular weight of 165.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)ethanesulfonamide is sourced from PubChem (CID 5159392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).