3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine

C17H27NOS — CID 64716954

IUPAC3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(S(=O)c2cc(C)ccc2C)C1
InChIInChI=1S/C17H27NOS/c1-4-10-18-15-6-5-7-16(12-15)20(19)17-11-13(2)8-9-14(17)3/h8-9,11,15-16,18H,4-7,10,12H2,1-3H3
InChIKeySVSMASPCLJBASC-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.72
Rot. Bonds5

About 3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine

3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine (PubChem CID 64716954) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine
PubChem CID64716954
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(S(=O)c2cc(C)ccc2C)C1
InChIInChI=1S/C17H27NOS/c1-4-10-18-15-6-5-7-16(12-15)20(19)17-11-13(2)8-9-14(17)3/h8-9,11,15-16,18H,4-7,10,12H2,1-3H3
InChIKeySVSMASPCLJBASC-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64717172
2-(2,5-dimethylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64658501
3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine
CID 114792146
3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64717560
3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64716958
3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine
CID 114606245
3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64723455
3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 64724498
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine
CID 107169056
2-(2,5-dimethylphenyl)sulfinyl-N-methylcycloheptan-1-amine
CID 64660066
3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64718224

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine (CID 64716954) is 3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine is CCCNC1CCCC(S(=O)c2cc(C)ccc2C)C1.
What is the InChIKey of 3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine?
The InChIKey is SVSMASPCLJBASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-4-10-18-15-6-5-7-16(12-15)20(19)17-11-13(2)8-9-14(17)3/h8-9,11,15-16,18H,4-7,10,12H2,1-3H3.
What are the key properties of 3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine?
3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64716954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).