(E)-6-methyl-N-propylhept-2-ene-3-sulfonamide

C11H23NO2S — CID 167138433

IUPAC(E)-6-methyl-N-propylhept-2-ene-3-sulfonamide
SMILESC/C=C(\CCC(C)C)S(=O)(=O)NCCC
InChIInChI=1S/C11H23NO2S/c1-5-9-12-15(13,14)11(6-2)8-7-10(3)4/h6,10,12H,5,7-9H2,1-4H3/b11-6+
InChIKeyFYRXXBQWRKINAB-IZZDOVSWSA-N
MW233.38 g/mol
LogP2.66
Rot. Bonds7

About (E)-6-methyl-N-propylhept-2-ene-3-sulfonamide

(E)-6-methyl-N-propylhept-2-ene-3-sulfonamide (PubChem CID 167138433) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is (E)-6-methyl-N-propylhept-2-ene-3-sulfonamide.

Molecular Properties

Compound Name(E)-6-methyl-N-propylhept-2-ene-3-sulfonamide
PubChem CID167138433
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name(E)-6-methyl-N-propylhept-2-ene-3-sulfonamide
SMILESC/C=C(\CCC(C)C)S(=O)(=O)NCCC
InChIInChI=1S/C11H23NO2S/c1-5-9-12-15(13,14)11(6-2)8-7-10(3)4/h6,10,12H,5,7-9H2,1-4H3/b11-6+
InChIKeyFYRXXBQWRKINAB-IZZDOVSWSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-6-methyl-N-propylhept-2-ene-3-sulfonamide?
The IUPAC name of (E)-6-methyl-N-propylhept-2-ene-3-sulfonamide (CID 167138433) is (E)-6-methyl-N-propylhept-2-ene-3-sulfonamide.
What is the SMILES notation for (E)-6-methyl-N-propylhept-2-ene-3-sulfonamide?
The canonical SMILES for (E)-6-methyl-N-propylhept-2-ene-3-sulfonamide is C/C=C(\CCC(C)C)S(=O)(=O)NCCC.
What is the InChIKey of (E)-6-methyl-N-propylhept-2-ene-3-sulfonamide?
The InChIKey is FYRXXBQWRKINAB-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-5-9-12-15(13,14)11(6-2)8-7-10(3)4/h6,10,12H,5,7-9H2,1-4H3/b11-6+.
What are the key properties of (E)-6-methyl-N-propylhept-2-ene-3-sulfonamide?
(E)-6-methyl-N-propylhept-2-ene-3-sulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methyl-N-propylhept-2-ene-3-sulfonamide is sourced from PubChem (CID 167138433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).