(NE,S)-N-hexylidene-2,4,6-trimethylbenzenesulfinamide

C15H23NOS — CID 134998927

IUPAC(NE,S)-N-hexylidene-2,4,6-trimethylbenzenesulfinamide
SMILESCCCCC/C=N/[S@@](=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H23NOS/c1-5-6-7-8-9-16-18(17)15-13(3)10-12(2)11-14(15)4/h9-11H,5-8H2,1-4H3/b16-9+/t18-/m0/s1
InChIKeyYYYCYPHXSMNBHY-WBNHJWIASA-N
MW265.42 g/mol
LogP4.29
Rot. Bonds6

About (NE,S)-N-hexylidene-2,4,6-trimethylbenzenesulfinamide

(NE,S)-N-hexylidene-2,4,6-trimethylbenzenesulfinamide (PubChem CID 134998927) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is (NE,S)-N-hexylidene-2,4,6-trimethylbenzenesulfinamide.

Molecular Properties

Compound Name(NE,S)-N-hexylidene-2,4,6-trimethylbenzenesulfinamide
PubChem CID134998927
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name(NE,S)-N-hexylidene-2,4,6-trimethylbenzenesulfinamide
SMILESCCCCC/C=N/[S@@](=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H23NOS/c1-5-6-7-8-9-16-18(17)15-13(3)10-12(2)11-14(15)4/h9-11H,5-8H2,1-4H3/b16-9+/t18-/m0/s1
InChIKeyYYYCYPHXSMNBHY-WBNHJWIASA-N
XLogP4.29
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (2E)-2-[(R)-(2,4,6-trimethylphenyl)sulfinyl]iminoacetate
CID 162402165
(NE,S)-2-methyl-N-nonylidenepropane-2-sulfinamide
CID 11265085
(NE,S)-N-decylidene-2-methylpropane-2-sulfinamide
CID 57331784
1,3,5-trimethyl-2-[(R)-methylsulfinyl]benzene
CID 14433886
2-heptyl-1,3,5-trimethylbenzene
CID 91176517
2-hexadecyl-1,3,5-trimethylbenzene
CID 86119723
2-butyl-1,3,5-trimethylbenzene
CID 527298
1-methyl-3,5-di(pentadecyl)benzene
CID 58289216
N-(4-methylphenyl)nonan-1-imine
CID 10998858
ethyl (R)-2,4,6-trimethylbenzenesulfinate
CID 175883354
(2,4,6-trimethylphenyl) icosa-4,8,11,14-tetraenoate
CID 54466763
(2,4,6-trimethylphenyl) (2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate
CID 88761657

Frequently Asked Questions

What is the IUPAC name of (NE,S)-N-hexylidene-2,4,6-trimethylbenzenesulfinamide?
The IUPAC name of (NE,S)-N-hexylidene-2,4,6-trimethylbenzenesulfinamide (CID 134998927) is (NE,S)-N-hexylidene-2,4,6-trimethylbenzenesulfinamide.
What is the SMILES notation for (NE,S)-N-hexylidene-2,4,6-trimethylbenzenesulfinamide?
The canonical SMILES for (NE,S)-N-hexylidene-2,4,6-trimethylbenzenesulfinamide is CCCCC/C=N/[S@@](=O)c1c(C)cc(C)cc1C.
What is the InChIKey of (NE,S)-N-hexylidene-2,4,6-trimethylbenzenesulfinamide?
The InChIKey is YYYCYPHXSMNBHY-WBNHJWIASA-N. The full InChI is InChI=1S/C15H23NOS/c1-5-6-7-8-9-16-18(17)15-13(3)10-12(2)11-14(15)4/h9-11H,5-8H2,1-4H3/b16-9+/t18-/m0/s1.
What are the key properties of (NE,S)-N-hexylidene-2,4,6-trimethylbenzenesulfinamide?
(NE,S)-N-hexylidene-2,4,6-trimethylbenzenesulfinamide has a molecular weight of 265.42 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-N-hexylidene-2,4,6-trimethylbenzenesulfinamide is sourced from PubChem (CID 134998927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).