2-(benzenesulfonyl)-N-(1-phenylethyl)pent-4-en-1-amine

C19H23NO2S — CID 10882062

IUPAC2-(benzenesulfonyl)-N-(1-phenylethyl)pent-4-en-1-amine
SMILESC=CCC(CNC(C)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23NO2S/c1-3-10-19(23(21,22)18-13-8-5-9-14-18)15-20-16(2)17-11-6-4-7-12-17/h3-9,11-14,16,19-20H,1,10,15H2,2H3
InChIKeyMBDIVVBWDTYSSX-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.76
Rot. Bonds8

About 2-(benzenesulfonyl)-N-(1-phenylethyl)pent-4-en-1-amine

2-(benzenesulfonyl)-N-(1-phenylethyl)pent-4-en-1-amine (PubChem CID 10882062) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(1-phenylethyl)pent-4-en-1-amine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(1-phenylethyl)pent-4-en-1-amine
PubChem CID10882062
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-(benzenesulfonyl)-N-(1-phenylethyl)pent-4-en-1-amine
SMILESC=CCC(CNC(C)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23NO2S/c1-3-10-19(23(21,22)18-13-8-5-9-14-18)15-20-16(2)17-11-6-4-7-12-17/h3-9,11-14,16,19-20H,1,10,15H2,2H3
InChIKeyMBDIVVBWDTYSSX-UHFFFAOYSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 759101
3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
CID 3476149
4-[2-(Benzylamino)ethyl]benzenesulfonamide
CID 4718084
4-[2-[(4-Methylphenyl)methylamino]ethyl]benzenesulfonamide
CID 4718087
4-Benzenesulfonyl-1-benzyl-piperidine
CID 11120635
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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(1-phenylethyl)pent-4-en-1-amine?
The IUPAC name of 2-(benzenesulfonyl)-N-(1-phenylethyl)pent-4-en-1-amine (CID 10882062) is 2-(benzenesulfonyl)-N-(1-phenylethyl)pent-4-en-1-amine.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(1-phenylethyl)pent-4-en-1-amine?
The canonical SMILES for 2-(benzenesulfonyl)-N-(1-phenylethyl)pent-4-en-1-amine is C=CCC(CNC(C)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(1-phenylethyl)pent-4-en-1-amine?
The InChIKey is MBDIVVBWDTYSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-3-10-19(23(21,22)18-13-8-5-9-14-18)15-20-16(2)17-11-6-4-7-12-17/h3-9,11-14,16,19-20H,1,10,15H2,2H3.
What are the key properties of 2-(benzenesulfonyl)-N-(1-phenylethyl)pent-4-en-1-amine?
2-(benzenesulfonyl)-N-(1-phenylethyl)pent-4-en-1-amine has a molecular weight of 329.47 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(1-phenylethyl)pent-4-en-1-amine is sourced from PubChem (CID 10882062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).