hept-1-ene-2-sulfonamide

C7H15NO2S — CID 87167916

IUPAChept-1-ene-2-sulfonamide
SMILESC=C(CCCCC)S(N)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-3-4-5-6-7(2)11(8,9)10/h2-6H2,1H3,(H2,8,9,10)
InChIKeyDNLNEJZPUALSFZ-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.37
Rot. Bonds5

About hept-1-ene-2-sulfonamide

hept-1-ene-2-sulfonamide (PubChem CID 87167916) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is hept-1-ene-2-sulfonamide.

Molecular Properties

Compound Namehept-1-ene-2-sulfonamide
PubChem CID87167916
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Namehept-1-ene-2-sulfonamide
SMILESC=C(CCCCC)S(N)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-3-4-5-6-7(2)11(8,9)10/h2-6H2,1H3,(H2,8,9,10)
InChIKeyDNLNEJZPUALSFZ-UHFFFAOYSA-N
XLogP1.37
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexane;sulfamide
CID 87750585
ethane;hept-1-en-2-amine
CID 143133065
6-methylidenedodecane
CID 21453027
henicos-1-en-2-ol
CID 90735098
6-methylidenetetradecane
CID 21477883
2-methylidenetridecanamide
CID 22648504
2-methylidenepentadecanamide
CID 57359889
sulfuric acid;tridecane
CID 91872702
nonacosanamide
CID 21105912
2-methyltetradec-1-ene
CID 521375
19-methylideneheptatriacontane;titanium
CID 174477367
ethane;2-methylhept-1-ene
CID 143682307

Frequently Asked Questions

What is the IUPAC name of hept-1-ene-2-sulfonamide?
The IUPAC name of hept-1-ene-2-sulfonamide (CID 87167916) is hept-1-ene-2-sulfonamide.
What is the SMILES notation for hept-1-ene-2-sulfonamide?
The canonical SMILES for hept-1-ene-2-sulfonamide is C=C(CCCCC)S(N)(=O)=O.
What is the InChIKey of hept-1-ene-2-sulfonamide?
The InChIKey is DNLNEJZPUALSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-4-5-6-7(2)11(8,9)10/h2-6H2,1H3,(H2,8,9,10).
What are the key properties of hept-1-ene-2-sulfonamide?
hept-1-ene-2-sulfonamide has a molecular weight of 177.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hept-1-ene-2-sulfonamide is sourced from PubChem (CID 87167916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).