2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine

C15H23ClN2O2S — CID 161190089

IUPAC2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine
SMILESCS(=O)c1ccc(C(CCCCCCl)=NOCCN)cc1
InChIInChI=1S/C15H23ClN2O2S/c1-21(19)14-8-6-13(7-9-14)15(18-20-12-11-17)5-3-2-4-10-16/h6-9H,2-5,10-12,17H2,1H3
InChIKeyUTPHCPKLXLPGCD-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.90
Rot. Bonds10

About 2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine

2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine (PubChem CID 161190089) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine.

Molecular Properties

Compound Name2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine
PubChem CID161190089
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine
SMILESCS(=O)c1ccc(C(CCCCCCl)=NOCCN)cc1
InChIInChI=1S/C15H23ClN2O2S/c1-21(19)14-8-6-13(7-9-14)15(18-20-12-11-17)5-3-2-4-10-16/h6-9H,2-5,10-12,17H2,1H3
InChIKeyUTPHCPKLXLPGCD-UHFFFAOYSA-N
XLogP2.90
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine with MolForge

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Related Compounds

2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine
CID 154348891
6-(2-aminoethoxyimino)-6-(4-methylsulfinylphenyl)hexanenitrile;(E)-but-2-enedioic acid
CID 159551800
7-(2-aminoethoxyimino)-7-(3,4-dichlorophenyl)heptanenitrile
CID 88810855
2-[(Z)-[5-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
CID 131708504
(5Z)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 10313784
2-[[1-(4-bromophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine;(E)-but-2-enedioic acid
CID 88812782
2-[[1-(4-bromophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine;but-2-enedioic acid
CID 173452318
but-2-enedioic acid;2-[(E)-[5-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
CID 172951143
(Z)-but-2-enedioic acid;2-[(E)-[5-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
CID 46781631
2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine
CID 88810610
7-chloro-1-(4-fluoro-3-methylphenyl)heptan-1-one
CID 24726762
1-(2-fluoroethoxy)-4-methylsulfinylbenzene
CID 15058664

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine?
The IUPAC name of 2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine (CID 161190089) is 2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine.
What is the SMILES notation for 2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine?
The canonical SMILES for 2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine is CS(=O)c1ccc(C(CCCCCCl)=NOCCN)cc1.
What is the InChIKey of 2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine?
The InChIKey is UTPHCPKLXLPGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-21(19)14-8-6-13(7-9-14)15(18-20-12-11-17)5-3-2-4-10-16/h6-9H,2-5,10-12,17H2,1H3.
What are the key properties of 2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine?
2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine has a molecular weight of 330.88 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine is sourced from PubChem (CID 161190089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).