3-(thiophen-2-ylmethyl)thian-4-amine

C10H15NS2 — CID 82394143

IUPAC3-(thiophen-2-ylmethyl)thian-4-amine
SMILESNC1CCSCC1Cc1cccs1
InChIInChI=1S/C10H15NS2/c11-10-3-5-12-7-8(10)6-9-2-1-4-13-9/h1-2,4,8,10H,3,5-7,11H2
InChIKeyRBRHNTOZYFHMCS-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.37
Rot. Bonds2

About 3-(thiophen-2-ylmethyl)thian-4-amine

3-(thiophen-2-ylmethyl)thian-4-amine (PubChem CID 82394143) has the molecular formula C10H15NS2 and a molecular weight of 213.37 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethyl)thian-4-amine.

Molecular Properties

Compound Name3-(thiophen-2-ylmethyl)thian-4-amine
PubChem CID82394143
Molecular FormulaC10H15NS2
Molecular Weight213.37 g/mol
Exact Mass213.06
IUPAC Name3-(thiophen-2-ylmethyl)thian-4-amine
SMILESNC1CCSCC1Cc1cccs1
InChIInChI=1S/C10H15NS2/c11-10-3-5-12-7-8(10)6-9-2-1-4-13-9/h1-2,4,8,10H,3,5-7,11H2
InChIKeyRBRHNTOZYFHMCS-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(thiophen-2-ylmethyl)thian-4-amine 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

2-(thiiran-2-ylmethyl)thiophene
CID 174452865
N-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine
CID 81017241
N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 55207614
1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine
CID 105134176
N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 107132607
N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine
CID 103930732
2-[(4,4-dimethylcyclohexyl)methyl]thiophene
CID 141443372
4-methyl-2-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 81020795
2-(thiolan-3-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 107132929
N-(thiolan-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
CID 107295205
3-(thiophen-2-ylmethyl)azetidine;hydrochloride
CID 134691076
N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81034479

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethyl)thian-4-amine?
The IUPAC name of 3-(thiophen-2-ylmethyl)thian-4-amine (CID 82394143) is 3-(thiophen-2-ylmethyl)thian-4-amine.
What is the SMILES notation for 3-(thiophen-2-ylmethyl)thian-4-amine?
The canonical SMILES for 3-(thiophen-2-ylmethyl)thian-4-amine is NC1CCSCC1Cc1cccs1.
What is the InChIKey of 3-(thiophen-2-ylmethyl)thian-4-amine?
The InChIKey is RBRHNTOZYFHMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS2/c11-10-3-5-12-7-8(10)6-9-2-1-4-13-9/h1-2,4,8,10H,3,5-7,11H2.
What are the key properties of 3-(thiophen-2-ylmethyl)thian-4-amine?
3-(thiophen-2-ylmethyl)thian-4-amine has a molecular weight of 213.37 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethyl)thian-4-amine is sourced from PubChem (CID 82394143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).