N-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine

C14H22ClNS — CID 60661954

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine
SMILESCCCCCCNCCSc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNS/c1-2-3-4-5-10-16-11-12-17-14-8-6-13(15)7-9-14/h6-9,16H,2-5,10-12H2,1H3
InChIKeyAWCZKPNXLVJMNK-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.60
Rot. Bonds9

About N-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine

N-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine (PubChem CID 60661954) has the molecular formula C14H22ClNS and a molecular weight of 271.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine
PubChem CID60661954
Molecular FormulaC14H22ClNS
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine
SMILESCCCCCCNCCSc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNS/c1-2-3-4-5-10-16-11-12-17-14-8-6-13(15)7-9-14/h6-9,16H,2-5,10-12H2,1H3
InChIKeyAWCZKPNXLVJMNK-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.86
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-bromophenyl)sulfanylethyl]pentan-1-amine
CID 60690697
N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine
CID 2299864
N-(4-pyridin-4-ylsulfanylbutyl)octan-1-amine
CID 19079129
N'-(4-chlorophenyl)-N-heptylethane-1,2-diamine
CID 54806314
4-(4-chlorophenyl)sulfanyl-N-methylbutan-1-amine
CID 62583689
N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine
CID 61386045
1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene
CID 12836424
N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine
CID 3022021
1-[2-[[butyl(methyl)sulfamoyl]amino]ethylsulfanyl]-4-chlorobenzene
CID 47171220
2-(decylamino)ethyl thiohypochlorite
CID 121462372
2-(4-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine
CID 62583508
N-[2-(4-chlorophenyl)sulfanylethyl]butan-2-amine
CID 60684285

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine (CID 60661954) is N-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine is CCCCCCNCCSc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine?
The InChIKey is AWCZKPNXLVJMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNS/c1-2-3-4-5-10-16-11-12-17-14-8-6-13(15)7-9-14/h6-9,16H,2-5,10-12H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine?
N-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine has a molecular weight of 271.86 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine is sourced from PubChem (CID 60661954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).