1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine

C14H21NS — CID 117343770

IUPAC1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine
SMILESCSc1cc(C)c(C)c(C2(N)CCCC2)c1
InChIInChI=1S/C14H21NS/c1-10-8-12(16-3)9-13(11(10)2)14(15)6-4-5-7-14/h8-9H,4-7,15H2,1-3H3
InChIKeyKUQBFBIZCDHRKQ-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.75
Rot. Bonds2

About 1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine

1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine (PubChem CID 117343770) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine
PubChem CID117343770
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine
SMILESCSc1cc(C)c(C)c(C2(N)CCCC2)c1
InChIInChI=1S/C14H21NS/c1-10-8-12(16-3)9-13(11(10)2)14(15)6-4-5-7-14/h8-9H,4-7,15H2,1-3H3
InChIKeyKUQBFBIZCDHRKQ-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117453302
2-(1-aminocyclohexyl)-4-methylsulfanylphenol
CID 117347880
3-(1-aminocyclohexyl)-4,5-dimethylbenzonitrile
CID 117329243
1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84790278
2-[1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117379802
1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine
CID 84773855
5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol
CID 117347766
6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol
CID 117343165
4-(1-aminocyclohexyl)-2,3,6-trimethylphenol
CID 117114619
1-(3-chloro-5-fluoro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84801370
5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol
CID 117320752
1-(3-methylsulfanylphenyl)cyclopentan-1-amine
CID 82611331

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine (CID 117343770) is 1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine is CSc1cc(C)c(C)c(C2(N)CCCC2)c1.
What is the InChIKey of 1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine?
The InChIKey is KUQBFBIZCDHRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-10-8-12(16-3)9-13(11(10)2)14(15)6-4-5-7-14/h8-9H,4-7,15H2,1-3H3.
What are the key properties of 1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine?
1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine has a molecular weight of 235.40 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117343770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).