N-butyl-N-methylpropane-2-sulfonamide

C8H19NO2S — CID 59532440

IUPACN-butyl-N-methylpropane-2-sulfonamide
SMILESCCCCN(C)S(=O)(=O)C(C)C
InChIInChI=1S/C8H19NO2S/c1-5-6-7-9(4)12(10,11)8(2)3/h8H,5-7H2,1-4H3
InChIKeyBIPGIJQKQUHRJE-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.46
Rot. Bonds5

About N-butyl-N-methylpropane-2-sulfonamide

N-butyl-N-methylpropane-2-sulfonamide (PubChem CID 59532440) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-butyl-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-methylpropane-2-sulfonamide
PubChem CID59532440
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-butyl-N-methylpropane-2-sulfonamide
SMILESCCCCN(C)S(=O)(=O)C(C)C
InChIInChI=1S/C8H19NO2S/c1-5-6-7-9(4)12(10,11)8(2)3/h8H,5-7H2,1-4H3
InChIKeyBIPGIJQKQUHRJE-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Trimethylammonio)propane-1-sulfonate
CID 30837
5 dimethylethyl-(3-sulfopropyl)ammonium salt
CID 5221296
Methanesulfonamide, N,N-dibutyl-
CID 199294
N-methyltetrahydro-1,2-thiazine S,S-dioxide
CID 12211945
1-Butylsulfonylpyrrolidine
CID 303063
N,N-Dibutylethanesulfonamide
CID 303050
Methylsulphonamide, N-ethyl-N-butyl-
CID 60643269
Butyl-dimethyl-(3-sulfopropyl)azanium
CID 89900046
Hydron;3-(trimethylazaniumyl)propane-1-sulfonate
CID 101248025
N,N-diethylhexane-1-sulfonamide
CID 11253021
Tetra-n-butyl-ammonium ethanesulfonate
CID 15046319
Triethylammoniumpropane sulfonate
CID 118091857

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylpropane-2-sulfonamide?
The IUPAC name of N-butyl-N-methylpropane-2-sulfonamide (CID 59532440) is N-butyl-N-methylpropane-2-sulfonamide.
What is the SMILES notation for N-butyl-N-methylpropane-2-sulfonamide?
The canonical SMILES for N-butyl-N-methylpropane-2-sulfonamide is CCCCN(C)S(=O)(=O)C(C)C.
What is the InChIKey of N-butyl-N-methylpropane-2-sulfonamide?
The InChIKey is BIPGIJQKQUHRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-5-6-7-9(4)12(10,11)8(2)3/h8H,5-7H2,1-4H3.
What are the key properties of N-butyl-N-methylpropane-2-sulfonamide?
N-butyl-N-methylpropane-2-sulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylpropane-2-sulfonamide is sourced from PubChem (CID 59532440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).