3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine

C16H25NS — CID 64724498

IUPAC3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Sc2cc(C)ccc2C)C1
InChIInChI=1S/C16H25NS/c1-4-9-17-14-7-8-15(11-14)18-16-10-12(2)5-6-13(16)3/h5-6,10,14-15,17H,4,7-9,11H2,1-3H3
InChIKeyHONMSRQLAIOILQ-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.32
Rot. Bonds5

About 3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine

3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine (PubChem CID 64724498) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine
PubChem CID64724498
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Sc2cc(C)ccc2C)C1
InChIInChI=1S/C16H25NS/c1-4-9-17-14-7-8-15(11-14)18-16-10-12(2)5-6-13(16)3/h5-6,10,14-15,17H,4,7-9,11H2,1-3H3
InChIKeyHONMSRQLAIOILQ-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64716737
3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64718224
3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine
CID 79632348
3-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 64722413
3-(1H-imidazol-2-ylsulfanyl)-N-propylcyclopentan-1-amine
CID 107783909
3-butan-2-ylsulfanyl-N-propylcyclopentan-1-amine
CID 64722459
3-[(3-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine
CID 64722014
3-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 64723881
3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64718245
3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64716954
2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine
CID 64649807
8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739794

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine (CID 64724498) is 3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine is CCCNC1CCC(Sc2cc(C)ccc2C)C1.
What is the InChIKey of 3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine?
The InChIKey is HONMSRQLAIOILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-4-9-17-14-7-8-15(11-14)18-16-10-12(2)5-6-13(16)3/h5-6,10,14-15,17H,4,7-9,11H2,1-3H3.
What are the key properties of 3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine?
3-(2,5-dimethylphenyl)sulfanyl-N-propylcyclopentan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.32, 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)sulfanyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64724498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).