N,N-dimethylbutane-2-sulfonamide

C6H15NO2S — CID 20813351

IUPACN,N-dimethylbutane-2-sulfonamide
SMILESCCC(C)S(=O)(=O)N(C)C
InChIInChI=1S/C6H15NO2S/c1-5-6(2)10(8,9)7(3)4/h6H,5H2,1-4H3
InChIKeyCKYKGIPLTRWAGL-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.68
Rot. Bonds3

About N,N-dimethylbutane-2-sulfonamide

N,N-dimethylbutane-2-sulfonamide (PubChem CID 20813351) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N,N-dimethylbutane-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethylbutane-2-sulfonamide
PubChem CID20813351
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN,N-dimethylbutane-2-sulfonamide
SMILESCCC(C)S(=O)(=O)N(C)C
InChIInChI=1S/C6H15NO2S/c1-5-6(2)10(8,9)7(3)4/h6H,5H2,1-4H3
InChIKeyCKYKGIPLTRWAGL-UHFFFAOYSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbutane-2-sulfonamide?
The IUPAC name of N,N-dimethylbutane-2-sulfonamide (CID 20813351) is N,N-dimethylbutane-2-sulfonamide.
What is the SMILES notation for N,N-dimethylbutane-2-sulfonamide?
The canonical SMILES for N,N-dimethylbutane-2-sulfonamide is CCC(C)S(=O)(=O)N(C)C.
What is the InChIKey of N,N-dimethylbutane-2-sulfonamide?
The InChIKey is CKYKGIPLTRWAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-5-6(2)10(8,9)7(3)4/h6H,5H2,1-4H3.
What are the key properties of N,N-dimethylbutane-2-sulfonamide?
N,N-dimethylbutane-2-sulfonamide has a molecular weight of 165.26 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbutane-2-sulfonamide is sourced from PubChem (CID 20813351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).