2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine

C14H21ClN2O2S — CID 154348891

IUPAC2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine
SMILESCS(=O)c1ccc(C(CCCCCl)=NOCCN)cc1
InChIInChI=1S/C14H21ClN2O2S/c1-20(18)13-7-5-12(6-8-13)14(4-2-3-9-15)17-19-11-10-16/h5-8H,2-4,9-11,16H2,1H3
InChIKeyGUYIQOJCVNSDRF-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.51
Rot. Bonds9

About 2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine

2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine (PubChem CID 154348891) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine.

Molecular Properties

Compound Name2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine
PubChem CID154348891
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine
SMILESCS(=O)c1ccc(C(CCCCCl)=NOCCN)cc1
InChIInChI=1S/C14H21ClN2O2S/c1-20(18)13-7-5-12(6-8-13)14(4-2-3-9-15)17-19-11-10-16/h5-8H,2-4,9-11,16H2,1H3
InChIKeyGUYIQOJCVNSDRF-UHFFFAOYSA-N
XLogP2.51
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.51
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-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine with MolForge

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Related Compounds

2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine
CID 161190089
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
2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine
CID 88810610
1-(2-fluoroethoxy)-4-methylsulfinylbenzene
CID 15058664
2-[(E)-[1-(4-fluorophenyl)-4-imidazol-1-ylbutylidene]amino]oxyethanamine;dihydrochloride
CID 19078329
(4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid
CID 46229742

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine?
The IUPAC name of 2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine (CID 154348891) is 2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine.
What is the SMILES notation for 2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine?
The canonical SMILES for 2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine is CS(=O)c1ccc(C(CCCCCl)=NOCCN)cc1.
What is the InChIKey of 2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine?
The InChIKey is GUYIQOJCVNSDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-20(18)13-7-5-12(6-8-13)14(4-2-3-9-15)17-19-11-10-16/h5-8H,2-4,9-11,16H2,1H3.
What are the key properties of 2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine?
2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine has a molecular weight of 316.85 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine is sourced from PubChem (CID 154348891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).