2,2-dimethyl-5-(2-methylphenyl)sulfanylcyclopentan-1-amine

C14H21NS — CID 79862663

IUPAC2,2-dimethyl-5-(2-methylphenyl)sulfanylcyclopentan-1-amine
SMILESCc1ccccc1SC1CCC(C)(C)C1N
InChIInChI=1S/C14H21NS/c1-10-6-4-5-7-11(10)16-12-8-9-14(2,3)13(12)15/h4-7,12-13H,8-9,15H2,1-3H3
InChIKeyLLISYTFVPPJALK-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.60
Rot. Bonds2

About 2,2-dimethyl-5-(2-methylphenyl)sulfanylcyclopentan-1-amine

2,2-dimethyl-5-(2-methylphenyl)sulfanylcyclopentan-1-amine (PubChem CID 79862663) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-methylphenyl)sulfanylcyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-methylphenyl)sulfanylcyclopentan-1-amine
PubChem CID79862663
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name2,2-dimethyl-5-(2-methylphenyl)sulfanylcyclopentan-1-amine
SMILESCc1ccccc1SC1CCC(C)(C)C1N
InChIInChI=1S/C14H21NS/c1-10-6-4-5-7-11(10)16-12-8-9-14(2,3)13(12)15/h4-7,12-13H,8-9,15H2,1-3H3
InChIKeyLLISYTFVPPJALK-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-methylphenyl)sulfanylcyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-(2-methylphenyl)sulfanylcyclopentan-1-amine (CID 79862663) is 2,2-dimethyl-5-(2-methylphenyl)sulfanylcyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-(2-methylphenyl)sulfanylcyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-(2-methylphenyl)sulfanylcyclopentan-1-amine is Cc1ccccc1SC1CCC(C)(C)C1N.
What is the InChIKey of 2,2-dimethyl-5-(2-methylphenyl)sulfanylcyclopentan-1-amine?
The InChIKey is LLISYTFVPPJALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-10-6-4-5-7-11(10)16-12-8-9-14(2,3)13(12)15/h4-7,12-13H,8-9,15H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-(2-methylphenyl)sulfanylcyclopentan-1-amine?
2,2-dimethyl-5-(2-methylphenyl)sulfanylcyclopentan-1-amine has a molecular weight of 235.40 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-methylphenyl)sulfanylcyclopentan-1-amine is sourced from PubChem (CID 79862663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).