5-methyl-N-[1-(4-methylphenyl)propyl]thiolan-3-amine

C15H23NS — CID 79942182

IUPAC5-methyl-N-[1-(4-methylphenyl)propyl]thiolan-3-amine
SMILESCCC(NC1CSC(C)C1)c1ccc(C)cc1
InChIInChI=1S/C15H23NS/c1-4-15(13-7-5-11(2)6-8-13)16-14-9-12(3)17-10-14/h5-8,12,14-16H,4,9-10H2,1-3H3
InChIKeyLYPZYMQCJOMICI-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.93
Rot. Bonds4

About 5-methyl-N-[1-(4-methylphenyl)propyl]thiolan-3-amine

5-methyl-N-[1-(4-methylphenyl)propyl]thiolan-3-amine (PubChem CID 79942182) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 5-methyl-N-[1-(4-methylphenyl)propyl]thiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(4-methylphenyl)propyl]thiolan-3-amine
PubChem CID79942182
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name5-methyl-N-[1-(4-methylphenyl)propyl]thiolan-3-amine
SMILESCCC(NC1CSC(C)C1)c1ccc(C)cc1
InChIInChI=1S/C15H23NS/c1-4-15(13-7-5-11(2)6-8-13)16-14-9-12(3)17-10-14/h5-8,12,14-16H,4,9-10H2,1-3H3
InChIKeyLYPZYMQCJOMICI-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(4-methylphenyl)propyl]thiolan-3-amine?
The IUPAC name of 5-methyl-N-[1-(4-methylphenyl)propyl]thiolan-3-amine (CID 79942182) is 5-methyl-N-[1-(4-methylphenyl)propyl]thiolan-3-amine.
What is the SMILES notation for 5-methyl-N-[1-(4-methylphenyl)propyl]thiolan-3-amine?
The canonical SMILES for 5-methyl-N-[1-(4-methylphenyl)propyl]thiolan-3-amine is CCC(NC1CSC(C)C1)c1ccc(C)cc1.
What is the InChIKey of 5-methyl-N-[1-(4-methylphenyl)propyl]thiolan-3-amine?
The InChIKey is LYPZYMQCJOMICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-4-15(13-7-5-11(2)6-8-13)16-14-9-12(3)17-10-14/h5-8,12,14-16H,4,9-10H2,1-3H3.
What are the key properties of 5-methyl-N-[1-(4-methylphenyl)propyl]thiolan-3-amine?
5-methyl-N-[1-(4-methylphenyl)propyl]thiolan-3-amine has a molecular weight of 249.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(4-methylphenyl)propyl]thiolan-3-amine is sourced from PubChem (CID 79942182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).