1,1-dioxo-2,3-dihydrothiophen-3-amine;hydrochloride

C4H8ClNO2S — CID 12844438

IUPAC1,1-dioxo-2,3-dihydrothiophen-3-amine;hydrochloride
SMILESCl.NC1C=CS(=O)(=O)C1
InChIInChI=1S/C4H7NO2S.ClH/c5-4-1-2-8(6,7)3-4;/h1-2,4H,3,5H2;1H
InChIKeyLKFDPRBLUFZFJH-UHFFFAOYSA-N
MW169.63 g/mol
LogP-0.32
Rot. Bonds

About 1,1-dioxo-2,3-dihydrothiophen-3-amine;hydrochloride

1,1-dioxo-2,3-dihydrothiophen-3-amine;hydrochloride (PubChem CID 12844438) has the molecular formula C4H8ClNO2S and a molecular weight of 169.63 g/mol. Its IUPAC name is 1,1-dioxo-2,3-dihydrothiophen-3-amine;hydrochloride.

Molecular Properties

Compound Name1,1-dioxo-2,3-dihydrothiophen-3-amine;hydrochloride
PubChem CID12844438
Molecular FormulaC4H8ClNO2S
Molecular Weight169.63 g/mol
Exact Mass169.00
IUPAC Name1,1-dioxo-2,3-dihydrothiophen-3-amine;hydrochloride
SMILESCl.NC1C=CS(=O)(=O)C1
InChIInChI=1S/C4H7NO2S.ClH/c5-4-1-2-8(6,7)3-4;/h1-2,4H,3,5H2;1H
InChIKeyLKFDPRBLUFZFJH-UHFFFAOYSA-N
XLogP-0.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.63
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2,3-dihydrothiophen-3-amine;hydrochloride?
The IUPAC name of 1,1-dioxo-2,3-dihydrothiophen-3-amine;hydrochloride (CID 12844438) is 1,1-dioxo-2,3-dihydrothiophen-3-amine;hydrochloride.
What is the SMILES notation for 1,1-dioxo-2,3-dihydrothiophen-3-amine;hydrochloride?
The canonical SMILES for 1,1-dioxo-2,3-dihydrothiophen-3-amine;hydrochloride is Cl.NC1C=CS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-2,3-dihydrothiophen-3-amine;hydrochloride?
The InChIKey is LKFDPRBLUFZFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S.ClH/c5-4-1-2-8(6,7)3-4;/h1-2,4H,3,5H2;1H.
What are the key properties of 1,1-dioxo-2,3-dihydrothiophen-3-amine;hydrochloride?
1,1-dioxo-2,3-dihydrothiophen-3-amine;hydrochloride has a molecular weight of 169.63 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2,3-dihydrothiophen-3-amine;hydrochloride is sourced from PubChem (CID 12844438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).