N-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine

C15H22ClNS — CID 63517410

IUPACN-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine
SMILESClc1ccccc1SCCCNC1CCCCC1
InChIInChI=1S/C15H22ClNS/c16-14-9-4-5-10-15(14)18-12-6-11-17-13-7-2-1-3-8-13/h4-5,9-10,13,17H,1-3,6-8,11-12H2
InChIKeyVGGTZXXVBROHCZ-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.74
Rot. Bonds6

About N-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine

N-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine (PubChem CID 63517410) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine
PubChem CID63517410
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC NameN-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine
SMILESClc1ccccc1SCCCNC1CCCCC1
InChIInChI=1S/C15H22ClNS/c16-14-9-4-5-10-15(14)18-12-6-11-17-13-7-2-1-3-8-13/h4-5,9-10,13,17H,1-3,6-8,11-12H2
InChIKeyVGGTZXXVBROHCZ-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.87
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine 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-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine
CID 61385919
N-[2-(2-bromophenyl)sulfanylethyl]cycloheptanamine
CID 63515807
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624
2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82932393
2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine
CID 62582805
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
N-[3-(3,4-dimethylphenyl)sulfanylpropyl]cyclopentanamine
CID 55092477
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
N-[(2-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine
CID 63809780
N'-cyclopentyl-1-phenylbutane-1,4-diamine
CID 63321714
N-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981
6-(2-chlorophenyl)sulfanylhexan-1-ol
CID 103736267

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine?
The IUPAC name of N-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine (CID 63517410) is N-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine.
What is the SMILES notation for N-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine?
The canonical SMILES for N-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine is Clc1ccccc1SCCCNC1CCCCC1.
What is the InChIKey of N-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine?
The InChIKey is VGGTZXXVBROHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c16-14-9-4-5-10-15(14)18-12-6-11-17-13-7-2-1-3-8-13/h4-5,9-10,13,17H,1-3,6-8,11-12H2.
What are the key properties of N-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine?
N-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine has a molecular weight of 283.87 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine is sourced from PubChem (CID 63517410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).