[3-(4-methylphenyl)thian-4-yl]methanamine

C13H19NS — CID 84788263

IUPAC[3-(4-methylphenyl)thian-4-yl]methanamine
SMILESCc1ccc(C2CSCCC2CN)cc1
InChIInChI=1S/C13H19NS/c1-10-2-4-11(5-3-10)13-9-15-7-6-12(13)8-14/h2-5,12-13H,6-9,14H2,1H3
InChIKeyIKDNVAQDDVKCDQ-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.79
Rot. Bonds2

About [3-(4-methylphenyl)thian-4-yl]methanamine

[3-(4-methylphenyl)thian-4-yl]methanamine (PubChem CID 84788263) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is [3-(4-methylphenyl)thian-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methylphenyl)thian-4-yl]methanamine
PubChem CID84788263
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name[3-(4-methylphenyl)thian-4-yl]methanamine
SMILESCc1ccc(C2CSCCC2CN)cc1
InChIInChI=1S/C13H19NS/c1-10-2-4-11(5-3-10)13-9-15-7-6-12(13)8-14/h2-5,12-13H,6-9,14H2,1H3
InChIKeyIKDNVAQDDVKCDQ-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-methylphenyl)thiolan-3-yl]methanamine
CID 84779915
[4-(2-methylphenyl)thian-3-yl]methanamine
CID 84788259
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691
3-(4-bromophenyl)thian-4-amine
CID 84809782
[(1R,2R)-2-phenylcyclobutyl]methanamine
CID 121206987
4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one
CID 117209405
2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine
CID 82244196
[2-(4-propylphenyl)cyclopentyl]methanamine
CID 81010562
[2-(4-cyclobutylphenyl)cycloheptyl]methanamine
CID 116507071
[(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine
CID 82393146
[2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine
CID 107561109
2-(4-methylphenyl)cyclobutan-1-ol
CID 126971920

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)thian-4-yl]methanamine?
The IUPAC name of [3-(4-methylphenyl)thian-4-yl]methanamine (CID 84788263) is [3-(4-methylphenyl)thian-4-yl]methanamine.
What is the SMILES notation for [3-(4-methylphenyl)thian-4-yl]methanamine?
The canonical SMILES for [3-(4-methylphenyl)thian-4-yl]methanamine is Cc1ccc(C2CSCCC2CN)cc1.
What is the InChIKey of [3-(4-methylphenyl)thian-4-yl]methanamine?
The InChIKey is IKDNVAQDDVKCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-10-2-4-11(5-3-10)13-9-15-7-6-12(13)8-14/h2-5,12-13H,6-9,14H2,1H3.
What are the key properties of [3-(4-methylphenyl)thian-4-yl]methanamine?
[3-(4-methylphenyl)thian-4-yl]methanamine has a molecular weight of 221.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)thian-4-yl]methanamine is sourced from PubChem (CID 84788263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).