hex-5-ene-3-sulfonamide

C6H13NO2S — CID 118903567

IUPAChex-5-ene-3-sulfonamide
SMILESC=CCC(CC)S(N)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-3-5-6(4-2)10(7,8)9/h3,6H,1,4-5H2,2H3,(H2,7,8,9)
InChIKeyNFIAWKLSQXJFEU-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.63
Rot. Bonds4

About hex-5-ene-3-sulfonamide

hex-5-ene-3-sulfonamide (PubChem CID 118903567) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is hex-5-ene-3-sulfonamide.

Molecular Properties

Compound Namehex-5-ene-3-sulfonamide
PubChem CID118903567
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Namehex-5-ene-3-sulfonamide
SMILESC=CCC(CC)S(N)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-3-5-6(4-2)10(7,8)9/h3,6H,1,4-5H2,2H3,(H2,7,8,9)
InChIKeyNFIAWKLSQXJFEU-UHFFFAOYSA-N
XLogP0.63
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hex-5-ene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylsulfonylhex-1-ene
CID 22082516
2-methylhex-5-ene-3-sulfonamide
CID 130367234
(3R)-1-(trifluoromethoxy)hex-5-ene-3-sulfonamide
CID 158194058
(4R,5R)-5-methyloct-7-ene-4-sulfonamide
CID 118903706
(2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide
CID 130367158
(3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide
CID 118903407
(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide
CID 166830456
(2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide
CID 130367305
2,6-dimethyloct-7-ene-4-sulfonamide
CID 166665383
(4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide
CID 145359201
3-ethylhex-5-en-2-one
CID 58995117
(2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide
CID 138668280

Frequently Asked Questions

What is the IUPAC name of hex-5-ene-3-sulfonamide?
The IUPAC name of hex-5-ene-3-sulfonamide (CID 118903567) is hex-5-ene-3-sulfonamide.
What is the SMILES notation for hex-5-ene-3-sulfonamide?
The canonical SMILES for hex-5-ene-3-sulfonamide is C=CCC(CC)S(N)(=O)=O.
What is the InChIKey of hex-5-ene-3-sulfonamide?
The InChIKey is NFIAWKLSQXJFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-3-5-6(4-2)10(7,8)9/h3,6H,1,4-5H2,2H3,(H2,7,8,9).
What are the key properties of hex-5-ene-3-sulfonamide?
hex-5-ene-3-sulfonamide has a molecular weight of 163.24 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-ene-3-sulfonamide is sourced from PubChem (CID 118903567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).