4-[(6Z)-6-ethenylnona-6,8-dienyl]-N-ethylbenzenesulfinamide

C19H27NOS — CID 144925773

IUPAC4-[(6Z)-6-ethenylnona-6,8-dienyl]-N-ethylbenzenesulfinamide
SMILESC=C/C=C(\C=C)CCCCCc1ccc(S(=O)NCC)cc1
InChIInChI=1S/C19H27NOS/c1-4-10-17(5-2)11-8-7-9-12-18-13-15-19(16-14-18)22(21)20-6-3/h4-5,10,13-16,20H,1-2,6-9,11-12H2,3H3/b17-10+
InChIKeyIMEYKXFQQVHQLT-LICLKQGHSA-N
MW317.50 g/mol
LogP4.72
Rot. Bonds11

About 4-[(6Z)-6-ethenylnona-6,8-dienyl]-N-ethylbenzenesulfinamide

4-[(6Z)-6-ethenylnona-6,8-dienyl]-N-ethylbenzenesulfinamide (PubChem CID 144925773) has the molecular formula C19H27NOS and a molecular weight of 317.50 g/mol. Its IUPAC name is 4-[(6Z)-6-ethenylnona-6,8-dienyl]-N-ethylbenzenesulfinamide.

Molecular Properties

Compound Name4-[(6Z)-6-ethenylnona-6,8-dienyl]-N-ethylbenzenesulfinamide
PubChem CID144925773
Molecular FormulaC19H27NOS
Molecular Weight317.50 g/mol
Exact Mass317.18
IUPAC Name4-[(6Z)-6-ethenylnona-6,8-dienyl]-N-ethylbenzenesulfinamide
SMILESC=C/C=C(\C=C)CCCCCc1ccc(S(=O)NCC)cc1
InChIInChI=1S/C19H27NOS/c1-4-10-17(5-2)11-8-7-9-12-18-13-15-19(16-14-18)22(21)20-6-3/h4-5,10,13-16,20H,1-2,6-9,11-12H2,3H3/b17-10+
InChIKeyIMEYKXFQQVHQLT-LICLKQGHSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-phenylhexanamide
CID 70953257
N-(4-heptylphenyl)heptanamide
CID 101077737
6-[4-(4-ethylphenyl)phenyl]-N-hydroxyhexanamide
CID 142170347
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
4-(8-methyl-7-oxonon-8-enyl)benzaldehyde
CID 158019415
N-(4-dodecylphenyl)-6-[4-[4-(prop-2-enoylamino)phenyl]butanoylamino]hexanamide
CID 67517696
ethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine
CID 142018019
N'-dodecanoyl-4-heptylbenzohydrazide
CID 3103832
5-(4-ethylphenyl)-N',N'-dimethylpentanehydrazide
CID 116847774
5-(4-bromophenyl)-N'-methylpentanehydrazide
CID 116846599
benzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate
CID 143447868
sodium 4-octylbenzenesulfinate
CID 23714330

Frequently Asked Questions

What is the IUPAC name of 4-[(6Z)-6-ethenylnona-6,8-dienyl]-N-ethylbenzenesulfinamide?
The IUPAC name of 4-[(6Z)-6-ethenylnona-6,8-dienyl]-N-ethylbenzenesulfinamide (CID 144925773) is 4-[(6Z)-6-ethenylnona-6,8-dienyl]-N-ethylbenzenesulfinamide.
What is the SMILES notation for 4-[(6Z)-6-ethenylnona-6,8-dienyl]-N-ethylbenzenesulfinamide?
The canonical SMILES for 4-[(6Z)-6-ethenylnona-6,8-dienyl]-N-ethylbenzenesulfinamide is C=C/C=C(\C=C)CCCCCc1ccc(S(=O)NCC)cc1.
What is the InChIKey of 4-[(6Z)-6-ethenylnona-6,8-dienyl]-N-ethylbenzenesulfinamide?
The InChIKey is IMEYKXFQQVHQLT-LICLKQGHSA-N. The full InChI is InChI=1S/C19H27NOS/c1-4-10-17(5-2)11-8-7-9-12-18-13-15-19(16-14-18)22(21)20-6-3/h4-5,10,13-16,20H,1-2,6-9,11-12H2,3H3/b17-10+.
What are the key properties of 4-[(6Z)-6-ethenylnona-6,8-dienyl]-N-ethylbenzenesulfinamide?
4-[(6Z)-6-ethenylnona-6,8-dienyl]-N-ethylbenzenesulfinamide has a molecular weight of 317.50 g/mol, XLogP of 4.72, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6Z)-6-ethenylnona-6,8-dienyl]-N-ethylbenzenesulfinamide is sourced from PubChem (CID 144925773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).