(E)-N-methylbut-2-ene-2-sulfonamide

C5H11NO2S — CID 118719357

IUPAC(E)-N-methylbut-2-ene-2-sulfonamide
SMILESC/C=C(\C)S(=O)(=O)NC
InChIInChI=1S/C5H11NO2S/c1-4-5(2)9(7,8)6-3/h4,6H,1-3H3/b5-4+
InChIKeyOPZVCTAGIKFQEX-SNAWJCMRSA-N
MW149.21 g/mol
LogP0.46
Rot. Bonds2

About (E)-N-methylbut-2-ene-2-sulfonamide

(E)-N-methylbut-2-ene-2-sulfonamide (PubChem CID 118719357) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is (E)-N-methylbut-2-ene-2-sulfonamide.

Molecular Properties

Compound Name(E)-N-methylbut-2-ene-2-sulfonamide
PubChem CID118719357
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name(E)-N-methylbut-2-ene-2-sulfonamide
SMILESC/C=C(\C)S(=O)(=O)NC
InChIInChI=1S/C5H11NO2S/c1-4-5(2)9(7,8)6-3/h4,6H,1-3H3/b5-4+
InChIKeyOPZVCTAGIKFQEX-SNAWJCMRSA-N
XLogP0.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methylbut-2-ene-2-sulfonamide?
The IUPAC name of (E)-N-methylbut-2-ene-2-sulfonamide (CID 118719357) is (E)-N-methylbut-2-ene-2-sulfonamide.
What is the SMILES notation for (E)-N-methylbut-2-ene-2-sulfonamide?
The canonical SMILES for (E)-N-methylbut-2-ene-2-sulfonamide is C/C=C(\C)S(=O)(=O)NC.
What is the InChIKey of (E)-N-methylbut-2-ene-2-sulfonamide?
The InChIKey is OPZVCTAGIKFQEX-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-4-5(2)9(7,8)6-3/h4,6H,1-3H3/b5-4+.
What are the key properties of (E)-N-methylbut-2-ene-2-sulfonamide?
(E)-N-methylbut-2-ene-2-sulfonamide has a molecular weight of 149.21 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methylbut-2-ene-2-sulfonamide is sourced from PubChem (CID 118719357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).