N-[(E)-pent-3-enyl]azepane-1-sulfonamide

C11H22N2O2S — CID 115628649

IUPACN-[(E)-pent-3-enyl]azepane-1-sulfonamide
SMILESC/C=C/CCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H22N2O2S/c1-2-3-6-9-12-16(14,15)13-10-7-4-5-8-11-13/h2-3,12H,4-11H2,1H3/b3-2+
InChIKeyOAWJWAXITORSKX-NSCUHMNNSA-N
MW246.38 g/mol
LogP1.66
Rot. Bonds5

About N-[(E)-pent-3-enyl]azepane-1-sulfonamide

N-[(E)-pent-3-enyl]azepane-1-sulfonamide (PubChem CID 115628649) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]azepane-1-sulfonamide
PubChem CID115628649
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-[(E)-pent-3-enyl]azepane-1-sulfonamide
SMILESC/C=C/CCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H22N2O2S/c1-2-3-6-9-12-16(14,15)13-10-7-4-5-8-11-13/h2-3,12H,4-11H2,1H3/b3-2+
InChIKeyOAWJWAXITORSKX-NSCUHMNNSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.66
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-(cyclohexen-1-yl)ethyl]azepane-1-sulfonamide
CID 31066114
N-prop-2-enylazepane-1-sulfonamide
CID 60713772
N-[(E)-4-aminobut-2-enyl]azepane-1-sulfonamide
CID 104461892
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]azepane-1-sulfonamide
CID 107487793
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)azepane-1-sulfonamide
CID 114694291
(E)-5-(dipropylsulfamoylamino)pent-2-ene
CID 115628695
2-methyl-N-[(E)-pent-3-enyl]piperidine-1-sulfonamide
CID 115628787
(E)-5-[[butyl(methyl)sulfamoyl]amino]pent-2-ene
CID 115628789
N-[(E)-pent-3-enyl]piperidine-1-sulfonamide
CID 115628813
N-but-3-enylazepane-1-sulfonamide
CID 116033512
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)azepane-1-sulfonamide;hydrochloride
CID 120721573

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]azepane-1-sulfonamide?
The IUPAC name of N-[(E)-pent-3-enyl]azepane-1-sulfonamide (CID 115628649) is N-[(E)-pent-3-enyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[(E)-pent-3-enyl]azepane-1-sulfonamide?
The canonical SMILES for N-[(E)-pent-3-enyl]azepane-1-sulfonamide is C/C=C/CCNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[(E)-pent-3-enyl]azepane-1-sulfonamide?
The InChIKey is OAWJWAXITORSKX-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-2-3-6-9-12-16(14,15)13-10-7-4-5-8-11-13/h2-3,12H,4-11H2,1H3/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]azepane-1-sulfonamide?
N-[(E)-pent-3-enyl]azepane-1-sulfonamide has a molecular weight of 246.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]azepane-1-sulfonamide is sourced from PubChem (CID 115628649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).