2H-thiopyran-2-amine

C5H7NS — CID 68504128

IUPAC2H-thiopyran-2-amine
SMILESNC1C=CC=CS1
InChIInChI=1S/C5H7NS/c6-5-3-1-2-4-7-5/h1-5H,6H2
InChIKeyZGBMWKMFXGAPJO-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.09
Rot. Bonds

About 2H-thiopyran-2-amine

2H-thiopyran-2-amine (PubChem CID 68504128) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 2H-thiopyran-2-amine.

Molecular Properties

Compound Name2H-thiopyran-2-amine
PubChem CID68504128
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name2H-thiopyran-2-amine
SMILESNC1C=CC=CS1
InChIInChI=1S/C5H7NS/c6-5-3-1-2-4-7-5/h1-5H,6H2
InChIKeyZGBMWKMFXGAPJO-UHFFFAOYSA-N
XLogP1.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-thiopyran-2-amine?
The IUPAC name of 2H-thiopyran-2-amine (CID 68504128) is 2H-thiopyran-2-amine.
What is the SMILES notation for 2H-thiopyran-2-amine?
The canonical SMILES for 2H-thiopyran-2-amine is NC1C=CC=CS1.
What is the InChIKey of 2H-thiopyran-2-amine?
The InChIKey is ZGBMWKMFXGAPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c6-5-3-1-2-4-7-5/h1-5H,6H2.
What are the key properties of 2H-thiopyran-2-amine?
2H-thiopyran-2-amine has a molecular weight of 113.18 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thiopyran-2-amine is sourced from PubChem (CID 68504128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).