N,2,2-trimethyl-5-(4-methylphenyl)sulfanylcyclopentan-1-amine

C15H23NS — CID 79862254

IUPACN,2,2-trimethyl-5-(4-methylphenyl)sulfanylcyclopentan-1-amine
SMILESCNC1C(Sc2ccc(C)cc2)CCC1(C)C
InChIInChI=1S/C15H23NS/c1-11-5-7-12(8-6-11)17-13-9-10-15(2,3)14(13)16-4/h5-8,13-14,16H,9-10H2,1-4H3
InChIKeyJKWWAEGFPQDJNG-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.86
Rot. Bonds3

About N,2,2-trimethyl-5-(4-methylphenyl)sulfanylcyclopentan-1-amine

N,2,2-trimethyl-5-(4-methylphenyl)sulfanylcyclopentan-1-amine (PubChem CID 79862254) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N,2,2-trimethyl-5-(4-methylphenyl)sulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-5-(4-methylphenyl)sulfanylcyclopentan-1-amine
PubChem CID79862254
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN,2,2-trimethyl-5-(4-methylphenyl)sulfanylcyclopentan-1-amine
SMILESCNC1C(Sc2ccc(C)cc2)CCC1(C)C
InChIInChI=1S/C15H23NS/c1-11-5-7-12(8-6-11)17-13-9-10-15(2,3)14(13)16-4/h5-8,13-14,16H,9-10H2,1-4H3
InChIKeyJKWWAEGFPQDJNG-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-5-(4-methylphenyl)sulfanylcyclopentan-1-amine?
The IUPAC name of N,2,2-trimethyl-5-(4-methylphenyl)sulfanylcyclopentan-1-amine (CID 79862254) is N,2,2-trimethyl-5-(4-methylphenyl)sulfanylcyclopentan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-5-(4-methylphenyl)sulfanylcyclopentan-1-amine?
The canonical SMILES for N,2,2-trimethyl-5-(4-methylphenyl)sulfanylcyclopentan-1-amine is CNC1C(Sc2ccc(C)cc2)CCC1(C)C.
What is the InChIKey of N,2,2-trimethyl-5-(4-methylphenyl)sulfanylcyclopentan-1-amine?
The InChIKey is JKWWAEGFPQDJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-11-5-7-12(8-6-11)17-13-9-10-15(2,3)14(13)16-4/h5-8,13-14,16H,9-10H2,1-4H3.
What are the key properties of N,2,2-trimethyl-5-(4-methylphenyl)sulfanylcyclopentan-1-amine?
N,2,2-trimethyl-5-(4-methylphenyl)sulfanylcyclopentan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-5-(4-methylphenyl)sulfanylcyclopentan-1-amine is sourced from PubChem (CID 79862254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).