N-pent-4-enylbut-3-ene-1-sulfonamide

C9H17NO2S — CID 155931513

IUPACN-pent-4-enylbut-3-ene-1-sulfonamide
SMILESC=CCCCNS(=O)(=O)CCC=C
InChIInChI=1S/C9H17NO2S/c1-3-5-7-8-10-13(11,12)9-6-4-2/h3-4,10H,1-2,5-9H2
InChIKeyQQHMFJRRRWYCFL-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.45
Rot. Bonds8

About N-pent-4-enylbut-3-ene-1-sulfonamide

N-pent-4-enylbut-3-ene-1-sulfonamide (PubChem CID 155931513) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-pent-4-enylbut-3-ene-1-sulfonamide.

Molecular Properties

Compound NameN-pent-4-enylbut-3-ene-1-sulfonamide
PubChem CID155931513
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-pent-4-enylbut-3-ene-1-sulfonamide
SMILESC=CCCCNS(=O)(=O)CCC=C
InChIInChI=1S/C9H17NO2S/c1-3-5-7-8-10-13(11,12)9-6-4-2/h3-4,10H,1-2,5-9H2
InChIKeyQQHMFJRRRWYCFL-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethylbut-3-ene-1-sulfonamide
CID 130725638
N-mesyl-4-pentenylamine
CID 15267597
N-prop-2-enylbut-3-ene-1-sulfonamide
CID 84480039
N-but-3-enylprop-2-ene-1-sulfonamide
CID 116033650
N-2,7-octadienyl-n-butanesulfonamide
CID 129812590
N-(5-methylhex-4-enyl)butane-1-sulfonamide
CID 138967449
N-butylprop-2-ene-1-sulfonamide
CID 53773127
N-ethylbut-1-ene-1-sulfonamide
CID 57201047
N-non-4-enylcyclopropanesulfonamide
CID 69045195
N-dec-9-enylcyclopropanesulfonamide
CID 69648330
N-non-8-enylcyclopropanesulfonamide
CID 69648343
N-butylcyclohexa-2,4-diene-1-sulfonamide
CID 69775508

Frequently Asked Questions

What is the IUPAC name of N-pent-4-enylbut-3-ene-1-sulfonamide?
The IUPAC name of N-pent-4-enylbut-3-ene-1-sulfonamide (CID 155931513) is N-pent-4-enylbut-3-ene-1-sulfonamide.
What is the SMILES notation for N-pent-4-enylbut-3-ene-1-sulfonamide?
The canonical SMILES for N-pent-4-enylbut-3-ene-1-sulfonamide is C=CCCCNS(=O)(=O)CCC=C.
What is the InChIKey of N-pent-4-enylbut-3-ene-1-sulfonamide?
The InChIKey is QQHMFJRRRWYCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-5-7-8-10-13(11,12)9-6-4-2/h3-4,10H,1-2,5-9H2.
What are the key properties of N-pent-4-enylbut-3-ene-1-sulfonamide?
N-pent-4-enylbut-3-ene-1-sulfonamide has a molecular weight of 203.31 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-enylbut-3-ene-1-sulfonamide is sourced from PubChem (CID 155931513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).