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

C13H19NS — CID 83822688

IUPAC[4-(3-methylphenyl)thian-4-yl]methanamine
SMILESCc1cccc(C2(CN)CCSCC2)c1
InChIInChI=1S/C13H19NS/c1-11-3-2-4-12(9-11)13(10-14)5-7-15-8-6-13/h2-4,9H,5-8,10,14H2,1H3
InChIKeyBGOLJJXRWXWVPU-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.72
Rot. Bonds2

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

[4-(3-methylphenyl)thian-4-yl]methanamine (PubChem CID 83822688) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is [4-(3-methylphenyl)thian-4-yl]methanamine.

Molecular Properties

Compound Name[4-(3-methylphenyl)thian-4-yl]methanamine
PubChem CID83822688
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name[4-(3-methylphenyl)thian-4-yl]methanamine
SMILESCc1cccc(C2(CN)CCSCC2)c1
InChIInChI=1S/C13H19NS/c1-11-3-2-4-12(9-11)13(10-14)5-7-15-8-6-13/h2-4,9H,5-8,10,14H2,1H3
InChIKeyBGOLJJXRWXWVPU-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(3-methylphenyl)thian-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-methoxy-1-(3-methylphenyl)cyclohexyl]methanamine
CID 70298951
[1-cyclopropyl-4-(3-methylphenyl)piperidin-4-yl]methanamine
CID 82294475
[3,3-dimethoxy-1-(3-methylphenyl)cyclobutyl]methanamine
CID 64906687
[3-ethyl-1-(3-methylphenyl)cyclobutyl]methanamine
CID 65000759
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193
[1-(3-methylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexyl]methanamine
CID 70294454
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301
(4-thiophen-2-ylthian-4-yl)methanamine
CID 83821365
1-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]piperazine-2,5-dione
CID 143706143
[1-[3-[1-(aminomethyl)cyclopropyl]phenyl]cyclopropyl]methanol
CID 117112180
[1-(7-methylnaphthalen-2-yl)cyclopropyl]methanamine
CID 105465206
4-ethyl-4-(3-methylphenyl)oxane
CID 143442460

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)thian-4-yl]methanamine?
The IUPAC name of [4-(3-methylphenyl)thian-4-yl]methanamine (CID 83822688) is [4-(3-methylphenyl)thian-4-yl]methanamine.
What is the SMILES notation for [4-(3-methylphenyl)thian-4-yl]methanamine?
The canonical SMILES for [4-(3-methylphenyl)thian-4-yl]methanamine is Cc1cccc(C2(CN)CCSCC2)c1.
What is the InChIKey of [4-(3-methylphenyl)thian-4-yl]methanamine?
The InChIKey is BGOLJJXRWXWVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-11-3-2-4-12(9-11)13(10-14)5-7-15-8-6-13/h2-4,9H,5-8,10,14H2,1H3.
What are the key properties of [4-(3-methylphenyl)thian-4-yl]methanamine?
[4-(3-methylphenyl)thian-4-yl]methanamine has a molecular weight of 221.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)thian-4-yl]methanamine is sourced from PubChem (CID 83822688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).