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

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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).