[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-dimethylazanium

C6H12NO2S+ — CID 7452123

IUPAC[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-dimethylazanium
SMILESC[NH+](C)[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C6H11NO2S/c1-7(2)6-3-4-10(8,9)5-6/h3-4,6H,5H2,1-2H3/p+1/t6-/m0/s1
InChIKeyDTGLDQIBKFKDDI-LURJTMIESA-O
MW162.23 g/mol
LogP-1.56
Rot. Bonds1

About [(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-dimethylazanium

[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-dimethylazanium (PubChem CID 7452123) has the molecular formula C6H12NO2S+ and a molecular weight of 162.23 g/mol. Its IUPAC name is [(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-dimethylazanium.

Molecular Properties

Compound Name[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-dimethylazanium
PubChem CID7452123
Molecular FormulaC6H12NO2S+
Molecular Weight162.23 g/mol
Exact Mass162.06
IUPAC Name[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-dimethylazanium
SMILESC[NH+](C)[C@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C6H11NO2S/c1-7(2)6-3-4-10(8,9)5-6/h3-4,6H,5H2,1-2H3/p+1/t6-/m0/s1
InChIKeyDTGLDQIBKFKDDI-LURJTMIESA-O
XLogP-1.56
TPSA38.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-dimethylazanium?
The IUPAC name of [(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-dimethylazanium (CID 7452123) is [(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-dimethylazanium.
What is the SMILES notation for [(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-dimethylazanium?
The canonical SMILES for [(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-dimethylazanium is C[NH+](C)[C@H]1C=CS(=O)(=O)C1.
What is the InChIKey of [(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-dimethylazanium?
The InChIKey is DTGLDQIBKFKDDI-LURJTMIESA-O. The full InChI is InChI=1S/C6H11NO2S/c1-7(2)6-3-4-10(8,9)5-6/h3-4,6H,5H2,1-2H3/p+1/t6-/m0/s1.
What are the key properties of [(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-dimethylazanium?
[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-dimethylazanium has a molecular weight of 162.23 g/mol, XLogP of -1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-dimethylazanium is sourced from PubChem (CID 7452123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).