(E)-N-ethylhex-3-ene-3-sulfonamide

C8H17NO2S — CID 155115338

IUPAC(E)-N-ethylhex-3-ene-3-sulfonamide
SMILESCC/C=C(\CC)S(=O)(=O)NCC
InChIInChI=1S/C8H17NO2S/c1-4-7-8(5-2)12(10,11)9-6-3/h7,9H,4-6H2,1-3H3/b8-7+
InChIKeyOROURWIRYPPVDU-BQYQJAHWSA-N
MW191.30 g/mol
LogP1.63
Rot. Bonds5

About (E)-N-ethylhex-3-ene-3-sulfonamide

(E)-N-ethylhex-3-ene-3-sulfonamide (PubChem CID 155115338) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (E)-N-ethylhex-3-ene-3-sulfonamide.

Molecular Properties

Compound Name(E)-N-ethylhex-3-ene-3-sulfonamide
PubChem CID155115338
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(E)-N-ethylhex-3-ene-3-sulfonamide
SMILESCC/C=C(\CC)S(=O)(=O)NCC
InChIInChI=1S/C8H17NO2S/c1-4-7-8(5-2)12(10,11)9-6-3/h7,9H,4-6H2,1-3H3/b8-7+
InChIKeyOROURWIRYPPVDU-BQYQJAHWSA-N
XLogP1.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethylhex-3-ene-3-sulfonamide?
The IUPAC name of (E)-N-ethylhex-3-ene-3-sulfonamide (CID 155115338) is (E)-N-ethylhex-3-ene-3-sulfonamide.
What is the SMILES notation for (E)-N-ethylhex-3-ene-3-sulfonamide?
The canonical SMILES for (E)-N-ethylhex-3-ene-3-sulfonamide is CC/C=C(\CC)S(=O)(=O)NCC.
What is the InChIKey of (E)-N-ethylhex-3-ene-3-sulfonamide?
The InChIKey is OROURWIRYPPVDU-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-4-7-8(5-2)12(10,11)9-6-3/h7,9H,4-6H2,1-3H3/b8-7+.
What are the key properties of (E)-N-ethylhex-3-ene-3-sulfonamide?
(E)-N-ethylhex-3-ene-3-sulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethylhex-3-ene-3-sulfonamide is sourced from PubChem (CID 155115338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).