3,6-dihydro-2H-thiopyran-6-amine

C5H9NS — CID 135243842

IUPAC3,6-dihydro-2H-thiopyran-6-amine
SMILESNC1C=CCCS1
InChIInChI=1S/C5H9NS/c6-5-3-1-2-4-7-5/h1,3,5H,2,4,6H2
InChIKeyKHKYSSLLBAJKDM-UHFFFAOYSA-N
MW115.20 g/mol
LogP0.96
Rot. Bonds

About 3,6-dihydro-2H-thiopyran-6-amine

3,6-dihydro-2H-thiopyran-6-amine (PubChem CID 135243842) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 3,6-dihydro-2H-thiopyran-6-amine.

Molecular Properties

Compound Name3,6-dihydro-2H-thiopyran-6-amine
PubChem CID135243842
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name3,6-dihydro-2H-thiopyran-6-amine
SMILESNC1C=CCCS1
InChIInChI=1S/C5H9NS/c6-5-3-1-2-4-7-5/h1,3,5H,2,4,6H2
InChIKeyKHKYSSLLBAJKDM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-thiopyran-6-amine?
The IUPAC name of 3,6-dihydro-2H-thiopyran-6-amine (CID 135243842) is 3,6-dihydro-2H-thiopyran-6-amine.
What is the SMILES notation for 3,6-dihydro-2H-thiopyran-6-amine?
The canonical SMILES for 3,6-dihydro-2H-thiopyran-6-amine is NC1C=CCCS1.
What is the InChIKey of 3,6-dihydro-2H-thiopyran-6-amine?
The InChIKey is KHKYSSLLBAJKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c6-5-3-1-2-4-7-5/h1,3,5H,2,4,6H2.
What are the key properties of 3,6-dihydro-2H-thiopyran-6-amine?
3,6-dihydro-2H-thiopyran-6-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 3,6-dihydro-2H-thiopyran-6-amine is sourced from PubChem (CID 135243842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).