(5-methylthiophen-2-yl)-(thian-2-yl)methanamine

C11H17NS2 — CID 80627664

IUPAC(5-methylthiophen-2-yl)-(thian-2-yl)methanamine
SMILESCc1ccc(C(N)C2CCCCS2)s1
InChIInChI=1S/C11H17NS2/c1-8-5-6-10(14-8)11(12)9-4-2-3-7-13-9/h5-6,9,11H,2-4,7,12H2,1H3
InChIKeyAYDWTQGJQXUFJR-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.34
Rot. Bonds2

About (5-methylthiophen-2-yl)-(thian-2-yl)methanamine

(5-methylthiophen-2-yl)-(thian-2-yl)methanamine (PubChem CID 80627664) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-(thian-2-yl)methanamine.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-(thian-2-yl)methanamine
PubChem CID80627664
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC Name(5-methylthiophen-2-yl)-(thian-2-yl)methanamine
SMILESCc1ccc(C(N)C2CCCCS2)s1
InChIInChI=1S/C11H17NS2/c1-8-5-6-10(14-8)11(12)9-4-2-3-7-13-9/h5-6,9,11H,2-4,7,12H2,1H3
InChIKeyAYDWTQGJQXUFJR-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-methylthiophen-2-yl)-(thian-2-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

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-(thian-2-yl)methanamine?
The IUPAC name of (5-methylthiophen-2-yl)-(thian-2-yl)methanamine (CID 80627664) is (5-methylthiophen-2-yl)-(thian-2-yl)methanamine.
What is the SMILES notation for (5-methylthiophen-2-yl)-(thian-2-yl)methanamine?
The canonical SMILES for (5-methylthiophen-2-yl)-(thian-2-yl)methanamine is Cc1ccc(C(N)C2CCCCS2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-(thian-2-yl)methanamine?
The InChIKey is AYDWTQGJQXUFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c1-8-5-6-10(14-8)11(12)9-4-2-3-7-13-9/h5-6,9,11H,2-4,7,12H2,1H3.
What are the key properties of (5-methylthiophen-2-yl)-(thian-2-yl)methanamine?
(5-methylthiophen-2-yl)-(thian-2-yl)methanamine has a molecular weight of 227.40 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-(thian-2-yl)methanamine is sourced from PubChem (CID 80627664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).