2H-thiopyran-2,6-diamine

C5H8N2S — CID 68503870

IUPAC2H-thiopyran-2,6-diamine
SMILESNC1=CC=CC(N)S1
InChIInChI=1S/C5H8N2S/c6-4-2-1-3-5(7)8-4/h1-4H,6-7H2
InChIKeyRBZIDGLZWWODOI-UHFFFAOYSA-N
MW128.20 g/mol
LogP0.37
Rot. Bonds

About 2H-thiopyran-2,6-diamine

2H-thiopyran-2,6-diamine (PubChem CID 68503870) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 2H-thiopyran-2,6-diamine.

Molecular Properties

Compound Name2H-thiopyran-2,6-diamine
PubChem CID68503870
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name2H-thiopyran-2,6-diamine
SMILESNC1=CC=CC(N)S1
InChIInChI=1S/C5H8N2S/c6-4-2-1-3-5(7)8-4/h1-4H,6-7H2
InChIKeyRBZIDGLZWWODOI-UHFFFAOYSA-N
XLogP0.37
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-thiopyran-2,6-diamine?
The IUPAC name of 2H-thiopyran-2,6-diamine (CID 68503870) is 2H-thiopyran-2,6-diamine.
What is the SMILES notation for 2H-thiopyran-2,6-diamine?
The canonical SMILES for 2H-thiopyran-2,6-diamine is NC1=CC=CC(N)S1.
What is the InChIKey of 2H-thiopyran-2,6-diamine?
The InChIKey is RBZIDGLZWWODOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c6-4-2-1-3-5(7)8-4/h1-4H,6-7H2.
What are the key properties of 2H-thiopyran-2,6-diamine?
2H-thiopyran-2,6-diamine has a molecular weight of 128.20 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thiopyran-2,6-diamine is sourced from PubChem (CID 68503870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).