N-(5-methylhex-4-enyl)butane-1-sulfonamide

C11H23NO2S — CID 138967449

IUPACN-(5-methylhex-4-enyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCC=C(C)C
InChIInChI=1S/C11H23NO2S/c1-4-5-10-15(13,14)12-9-7-6-8-11(2)3/h8,12H,4-7,9-10H2,1-3H3
InChIKeyXUJPPOLTLAHDLQ-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.45
Rot. Bonds8

About N-(5-methylhex-4-enyl)butane-1-sulfonamide

N-(5-methylhex-4-enyl)butane-1-sulfonamide (PubChem CID 138967449) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(5-methylhex-4-enyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-methylhex-4-enyl)butane-1-sulfonamide
PubChem CID138967449
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-(5-methylhex-4-enyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCC=C(C)C
InChIInChI=1S/C11H23NO2S/c1-4-5-10-15(13,14)12-9-7-6-8-11(2)3/h8,12H,4-7,9-10H2,1-3H3
InChIKeyXUJPPOLTLAHDLQ-UHFFFAOYSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.45
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-2,7-octadienyl-n-butanesulfonamide
CID 129812590
N-[(E)-hept-4-enyl]methanesulfonamide
CID 134862066
N-pent-4-enylbut-3-ene-1-sulfonamide
CID 155931513
N-(5-methylhex-4-enyl)methanesulfonamide
CID 166441657
N-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide
CID 143860161
(E)-N-(3,7-dimethylocta-2,6-dien-1-yl)methanesulfonamide
CID 15641109
N-[(4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 21034842
(1E)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide
CID 56942410
(1Z)-N,2,6-trimethylhepta-1,5-diene-1-sulfonamide
CID 56942411
N-[(3S,4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 58597073
2-(4-Methylpent-3-enylsulfonyl)ethanamine
CID 58684442
3-(4-Methylpent-3-enylsulfonyl)propan-1-amine
CID 58684766

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhex-4-enyl)butane-1-sulfonamide?
The IUPAC name of N-(5-methylhex-4-enyl)butane-1-sulfonamide (CID 138967449) is N-(5-methylhex-4-enyl)butane-1-sulfonamide.
What is the SMILES notation for N-(5-methylhex-4-enyl)butane-1-sulfonamide?
The canonical SMILES for N-(5-methylhex-4-enyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCCCC=C(C)C.
What is the InChIKey of N-(5-methylhex-4-enyl)butane-1-sulfonamide?
The InChIKey is XUJPPOLTLAHDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-5-10-15(13,14)12-9-7-6-8-11(2)3/h8,12H,4-7,9-10H2,1-3H3.
What are the key properties of N-(5-methylhex-4-enyl)butane-1-sulfonamide?
N-(5-methylhex-4-enyl)butane-1-sulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhex-4-enyl)butane-1-sulfonamide is sourced from PubChem (CID 138967449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).