3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine

C17H27NS — CID 64718224

IUPAC3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(Sc2ccc(C)c(C)c2)C1
InChIInChI=1S/C17H27NS/c1-4-10-18-15-6-5-7-16(12-15)19-17-9-8-13(2)14(3)11-17/h8-9,11,15-16,18H,4-7,10,12H2,1-3H3
InChIKeyIXYWQVKFFNMABI-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.71
Rot. Bonds5

About 3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine

3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine (PubChem CID 64718224) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
PubChem CID64718224
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(Sc2ccc(C)c(C)c2)C1
InChIInChI=1S/C17H27NS/c1-4-10-18-15-6-5-7-16(12-15)19-17-9-8-13(2)14(3)11-17/h8-9,11,15-16,18H,4-7,10,12H2,1-3H3
InChIKeyIXYWQVKFFNMABI-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64718245
3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 64722413
N-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine
CID 64718239
N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine
CID 64718244
2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64647989
3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 64724498
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine
CID 64722209
3-[(3-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine
CID 64722014
3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine
CID 64716109
3-(2-nitrophenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64717794
3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64716737
N-[3-(3,4-dimethylphenyl)sulfanylpropyl]cyclopentanamine
CID 55092477

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine (CID 64718224) is 3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine is CCCNC1CCCC(Sc2ccc(C)c(C)c2)C1.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine?
The InChIKey is IXYWQVKFFNMABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-4-10-18-15-6-5-7-16(12-15)19-17-9-8-13(2)14(3)11-17/h8-9,11,15-16,18H,4-7,10,12H2,1-3H3.
What are the key properties of 3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine?
3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64718224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).