(E)-3,3-dimethylbut-1-ene-1-sulfonamide

C6H13NO2S — CID 15260611

IUPAC(E)-3,3-dimethylbut-1-ene-1-sulfonamide
SMILESCC(C)(C)/C=C/S(N)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-6(2,3)4-5-10(7,8)9/h4-5H,1-3H3,(H2,7,8,9)/b5-4+
InChIKeyKWMBLUIURHMUFD-SNAWJCMRSA-N
MW163.24 g/mol
LogP0.83
Rot. Bonds1

About (E)-3,3-dimethylbut-1-ene-1-sulfonamide

(E)-3,3-dimethylbut-1-ene-1-sulfonamide (PubChem CID 15260611) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (E)-3,3-dimethylbut-1-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-3,3-dimethylbut-1-ene-1-sulfonamide
PubChem CID15260611
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(E)-3,3-dimethylbut-1-ene-1-sulfonamide
SMILESCC(C)(C)/C=C/S(N)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-6(2,3)4-5-10(7,8)9/h4-5H,1-3H3,(H2,7,8,9)/b5-4+
InChIKeyKWMBLUIURHMUFD-SNAWJCMRSA-N
XLogP0.83
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3,3-dimethylbut-1-ene-1-sulfonamide?
The IUPAC name of (E)-3,3-dimethylbut-1-ene-1-sulfonamide (CID 15260611) is (E)-3,3-dimethylbut-1-ene-1-sulfonamide.
What is the SMILES notation for (E)-3,3-dimethylbut-1-ene-1-sulfonamide?
The canonical SMILES for (E)-3,3-dimethylbut-1-ene-1-sulfonamide is CC(C)(C)/C=C/S(N)(=O)=O.
What is the InChIKey of (E)-3,3-dimethylbut-1-ene-1-sulfonamide?
The InChIKey is KWMBLUIURHMUFD-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6(2,3)4-5-10(7,8)9/h4-5H,1-3H3,(H2,7,8,9)/b5-4+.
What are the key properties of (E)-3,3-dimethylbut-1-ene-1-sulfonamide?
(E)-3,3-dimethylbut-1-ene-1-sulfonamide has a molecular weight of 163.24 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3-dimethylbut-1-ene-1-sulfonamide is sourced from PubChem (CID 15260611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).