5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide

C11H23NO2S — CID 159070929

IUPAC5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide
SMILESCC(C)C=CCCS(=O)(=O)NCC(C)C
InChIInChI=1S/C11H23NO2S/c1-10(2)7-5-6-8-15(13,14)12-9-11(3)4/h5,7,10-12H,6,8-9H2,1-4H3
InChIKeyJZQGPUUULTVSGA-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.16
Rot. Bonds7

About 5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide

5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide (PubChem CID 159070929) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide
PubChem CID159070929
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide
SMILESCC(C)C=CCCS(=O)(=O)NCC(C)C
InChIInChI=1S/C11H23NO2S/c1-10(2)7-5-6-8-15(13,14)12-9-11(3)4/h5,7,10-12H,6,8-9H2,1-4H3
InChIKeyJZQGPUUULTVSGA-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-2,7-octadienyl-n-butanesulfonamide
CID 129812590
N-[(E)-hept-4-enyl]methanesulfonamide
CID 134862066
N-(5-methylhex-4-enyl)butane-1-sulfonamide
CID 138967449
4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide
CID 115967652
N-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide
CID 143860161
N-(2-methylpropyl)cyclohexene-1-sulfonamide
CID 18792230
3-[(E)-pent-3-enyl]sulfonylpropan-1-amine
CID 58684847
(E)-3-methyl-N-propan-2-ylbut-1-ene-1-sulfonamide
CID 59848450
4-methyl-N-propylcyclohexa-2,4-diene-1-sulfonamide
CID 68052803
N-non-4-enylcyclopropanesulfonamide
CID 69045195
N-butylcyclohexa-2,4-diene-1-sulfonamide
CID 69775508
3-Pent-3-enylsulfonylpropan-1-amine
CID 72391309

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide?
The IUPAC name of 5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide (CID 159070929) is 5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide.
What is the SMILES notation for 5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide?
The canonical SMILES for 5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide is CC(C)C=CCCS(=O)(=O)NCC(C)C.
What is the InChIKey of 5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide?
The InChIKey is JZQGPUUULTVSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2)7-5-6-8-15(13,14)12-9-11(3)4/h5,7,10-12H,6,8-9H2,1-4H3.
What are the key properties of 5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide?
5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylpropyl)hex-3-ene-1-sulfonamide is sourced from PubChem (CID 159070929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).