3,4-dihydro-2H-thiopyran-4-amine

C5H9NS — CID 68811288

IUPAC3,4-dihydro-2H-thiopyran-4-amine
SMILESNC1C=CSCC1
InChIInChI=1S/C5H9NS/c6-5-1-3-7-4-2-5/h1,3,5H,2,4,6H2
InChIKeyHDEOJLUSYXRMTF-UHFFFAOYSA-N
MW115.20 g/mol
LogP0.96
Rot. Bonds

About 3,4-dihydro-2H-thiopyran-4-amine

3,4-dihydro-2H-thiopyran-4-amine (PubChem CID 68811288) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiopyran-4-amine.

Molecular Properties

Compound Name3,4-dihydro-2H-thiopyran-4-amine
PubChem CID68811288
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name3,4-dihydro-2H-thiopyran-4-amine
SMILESNC1C=CSCC1
InChIInChI=1S/C5H9NS/c6-5-1-3-7-4-2-5/h1,3,5H,2,4,6H2
InChIKeyHDEOJLUSYXRMTF-UHFFFAOYSA-N
XLogP0.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-thiopyran-4-amine?
The IUPAC name of 3,4-dihydro-2H-thiopyran-4-amine (CID 68811288) is 3,4-dihydro-2H-thiopyran-4-amine.
What is the SMILES notation for 3,4-dihydro-2H-thiopyran-4-amine?
The canonical SMILES for 3,4-dihydro-2H-thiopyran-4-amine is NC1C=CSCC1.
What is the InChIKey of 3,4-dihydro-2H-thiopyran-4-amine?
The InChIKey is HDEOJLUSYXRMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c6-5-1-3-7-4-2-5/h1,3,5H,2,4,6H2.
What are the key properties of 3,4-dihydro-2H-thiopyran-4-amine?
3,4-dihydro-2H-thiopyran-4-amine has a molecular weight of 115.20 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-thiopyran-4-amine is sourced from PubChem (CID 68811288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).