2-methylhex-5-ene-3-sulfonamide

C7H15NO2S — CID 130367234

IUPAC2-methylhex-5-ene-3-sulfonamide
SMILESC=CCC(C(C)C)S(N)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-4-5-7(6(2)3)11(8,9)10/h4,6-7H,1,5H2,2-3H3,(H2,8,9,10)
InChIKeyLJUYGVKNVNSIRV-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.88
Rot. Bonds4

About 2-methylhex-5-ene-3-sulfonamide

2-methylhex-5-ene-3-sulfonamide (PubChem CID 130367234) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-methylhex-5-ene-3-sulfonamide.

Molecular Properties

Compound Name2-methylhex-5-ene-3-sulfonamide
PubChem CID130367234
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-methylhex-5-ene-3-sulfonamide
SMILESC=CCC(C(C)C)S(N)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-4-5-7(6(2)3)11(8,9)10/h4,6-7H,1,5H2,2-3H3,(H2,8,9,10)
InChIKeyLJUYGVKNVNSIRV-UHFFFAOYSA-N
XLogP0.88
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.88
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

(3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide
CID 118903407
(4R,5R)-5-methyloct-7-ene-4-sulfonamide
CID 118903706
(3R)-2-methylpentane-3-sulfonamide
CID 94347262
(2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide
CID 130367305
hex-5-ene-3-sulfonamide
CID 118903567
(2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide
CID 138668280
(2R,3S)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide
CID 118910244
(2R,3R)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide
CID 118910236
(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide
CID 166830456
(2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide
CID 130367158
bis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide)
CID 158584641
4-propan-2-ylhepta-1,6-diene
CID 14140894

Frequently Asked Questions

What is the IUPAC name of 2-methylhex-5-ene-3-sulfonamide?
The IUPAC name of 2-methylhex-5-ene-3-sulfonamide (CID 130367234) is 2-methylhex-5-ene-3-sulfonamide.
What is the SMILES notation for 2-methylhex-5-ene-3-sulfonamide?
The canonical SMILES for 2-methylhex-5-ene-3-sulfonamide is C=CCC(C(C)C)S(N)(=O)=O.
What is the InChIKey of 2-methylhex-5-ene-3-sulfonamide?
The InChIKey is LJUYGVKNVNSIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-4-5-7(6(2)3)11(8,9)10/h4,6-7H,1,5H2,2-3H3,(H2,8,9,10).
What are the key properties of 2-methylhex-5-ene-3-sulfonamide?
2-methylhex-5-ene-3-sulfonamide has a molecular weight of 177.27 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-5-ene-3-sulfonamide is sourced from PubChem (CID 130367234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).