1,1-dioxo-2H-thiopyran-4-amine;hydrochloride

C5H8ClNO2S — CID 141443371

IUPAC1,1-dioxo-2H-thiopyran-4-amine;hydrochloride
SMILESCl.NC1=CCS(=O)(=O)C=C1
InChIInChI=1S/C5H7NO2S.ClH/c6-5-1-3-9(7,8)4-2-5;/h1-3H,4,6H2;1H
InChIKeyQYSWOILHLJWHAU-UHFFFAOYSA-N
MW181.64 g/mol
LogP0.19
Rot. Bonds

About 1,1-dioxo-2H-thiopyran-4-amine;hydrochloride

1,1-dioxo-2H-thiopyran-4-amine;hydrochloride (PubChem CID 141443371) has the molecular formula C5H8ClNO2S and a molecular weight of 181.64 g/mol. Its IUPAC name is 1,1-dioxo-2H-thiopyran-4-amine;hydrochloride.

Molecular Properties

Compound Name1,1-dioxo-2H-thiopyran-4-amine;hydrochloride
PubChem CID141443371
Molecular FormulaC5H8ClNO2S
Molecular Weight181.64 g/mol
Exact Mass181.00
IUPAC Name1,1-dioxo-2H-thiopyran-4-amine;hydrochloride
SMILESCl.NC1=CCS(=O)(=O)C=C1
InChIInChI=1S/C5H7NO2S.ClH/c6-5-1-3-9(7,8)4-2-5;/h1-3H,4,6H2;1H
InChIKeyQYSWOILHLJWHAU-UHFFFAOYSA-N
XLogP0.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.64
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2H-thiopyran-4-amine;hydrochloride?
The IUPAC name of 1,1-dioxo-2H-thiopyran-4-amine;hydrochloride (CID 141443371) is 1,1-dioxo-2H-thiopyran-4-amine;hydrochloride.
What is the SMILES notation for 1,1-dioxo-2H-thiopyran-4-amine;hydrochloride?
The canonical SMILES for 1,1-dioxo-2H-thiopyran-4-amine;hydrochloride is Cl.NC1=CCS(=O)(=O)C=C1.
What is the InChIKey of 1,1-dioxo-2H-thiopyran-4-amine;hydrochloride?
The InChIKey is QYSWOILHLJWHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S.ClH/c6-5-1-3-9(7,8)4-2-5;/h1-3H,4,6H2;1H.
What are the key properties of 1,1-dioxo-2H-thiopyran-4-amine;hydrochloride?
1,1-dioxo-2H-thiopyran-4-amine;hydrochloride has a molecular weight of 181.64 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2H-thiopyran-4-amine;hydrochloride is sourced from PubChem (CID 141443371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).