3-thiophen-2-ylsulfanyloxan-4-amine

C9H13NOS2 — CID 64612542

IUPAC3-thiophen-2-ylsulfanyloxan-4-amine
SMILESNC1CCOCC1Sc1cccs1
InChIInChI=1S/C9H13NOS2/c10-7-3-4-11-6-8(7)13-9-2-1-5-12-9/h1-2,5,7-8H,3-4,6,10H2
InChIKeyGCHBMLLYNRYQDR-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds2

About 3-thiophen-2-ylsulfanyloxan-4-amine

3-thiophen-2-ylsulfanyloxan-4-amine (PubChem CID 64612542) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-thiophen-2-ylsulfanyloxan-4-amine.

Molecular Properties

Compound Name3-thiophen-2-ylsulfanyloxan-4-amine
PubChem CID64612542
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Name3-thiophen-2-ylsulfanyloxan-4-amine
SMILESNC1CCOCC1Sc1cccs1
InChIInChI=1S/C9H13NOS2/c10-7-3-4-11-6-8(7)13-9-2-1-5-12-9/h1-2,5,7-8H,3-4,6,10H2
InChIKeyGCHBMLLYNRYQDR-UHFFFAOYSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylsulfanyloxan-4-amine?
The IUPAC name of 3-thiophen-2-ylsulfanyloxan-4-amine (CID 64612542) is 3-thiophen-2-ylsulfanyloxan-4-amine.
What is the SMILES notation for 3-thiophen-2-ylsulfanyloxan-4-amine?
The canonical SMILES for 3-thiophen-2-ylsulfanyloxan-4-amine is NC1CCOCC1Sc1cccs1.
What is the InChIKey of 3-thiophen-2-ylsulfanyloxan-4-amine?
The InChIKey is GCHBMLLYNRYQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c10-7-3-4-11-6-8(7)13-9-2-1-5-12-9/h1-2,5,7-8H,3-4,6,10H2.
What are the key properties of 3-thiophen-2-ylsulfanyloxan-4-amine?
3-thiophen-2-ylsulfanyloxan-4-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylsulfanyloxan-4-amine is sourced from PubChem (CID 64612542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).