3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine

C16H24ClNOS — CID 114792146

IUPAC3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(S(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H24ClNOS/c1-2-10-18-15-4-3-5-16(11-15)20(19)12-13-6-8-14(17)9-7-13/h6-9,15-16,18H,2-5,10-12H2,1H3
InChIKeyVUMOGSNNZQPBBW-UHFFFAOYSA-N
MW313.89 g/mol
LogP3.90
Rot. Bonds6

About 3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine

3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine (PubChem CID 114792146) has the molecular formula C16H24ClNOS and a molecular weight of 313.89 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine
PubChem CID114792146
Molecular FormulaC16H24ClNOS
Molecular Weight313.89 g/mol
Exact Mass313.13
IUPAC Name3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(S(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H24ClNOS/c1-2-10-18-15-4-3-5-16(11-15)20(19)12-13-6-8-14(17)9-7-13/h6-9,15-16,18H,2-5,10-12H2,1H3
InChIKeyVUMOGSNNZQPBBW-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.89
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64716942
3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64717172
3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64716954
3-(3-chloro-4-fluorophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 115477274
N-propyl-3-propylsulfinylcyclopentan-1-amine
CID 64722656
3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64716958
3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64723455
2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine
CID 114792156
8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739990
3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine
CID 79617884
1-[2-(4-chlorophenyl)sulfanylethyl]-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109440663
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine
CID 65130563

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine (CID 114792146) is 3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine is CCCNC1CCCC(S(=O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine?
The InChIKey is VUMOGSNNZQPBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNOS/c1-2-10-18-15-4-3-5-16(11-15)20(19)12-13-6-8-14(17)9-7-13/h6-9,15-16,18H,2-5,10-12H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine?
3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine has a molecular weight of 313.89 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 114792146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).