methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium

C6H14NO2S+ — CID 3848874

IUPACmethyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium
SMILESC[NH2+]C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO2S/c1-6(7-2)3-4-10(8,9)5-6/h7H,3-5H2,1-2H3/p+1
InChIKeyBCKXDHUGBHITAS-UHFFFAOYSA-O
MW164.25 g/mol
LogP-1.24
Rot. Bonds1

About methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium

methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium (PubChem CID 3848874) has the molecular formula C6H14NO2S+ and a molecular weight of 164.25 g/mol. Its IUPAC name is methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium.

Molecular Properties

Compound Namemethyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium
PubChem CID3848874
Molecular FormulaC6H14NO2S+
Molecular Weight164.25 g/mol
Exact Mass164.07
IUPAC Namemethyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium
SMILESC[NH2+]C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO2S/c1-6(7-2)3-4-10(8,9)5-6/h7H,3-5H2,1-2H3/p+1
InChIKeyBCKXDHUGBHITAS-UHFFFAOYSA-O
XLogP-1.24
TPSA50.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium?
The IUPAC name of methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium (CID 3848874) is methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium.
What is the SMILES notation for methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium?
The canonical SMILES for methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium is C[NH2+]C1(C)CCS(=O)(=O)C1.
What is the InChIKey of methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium?
The InChIKey is BCKXDHUGBHITAS-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13NO2S/c1-6(7-2)3-4-10(8,9)5-6/h7H,3-5H2,1-2H3/p+1.
What are the key properties of methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium?
methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium has a molecular weight of 164.25 g/mol, XLogP of -1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium is sourced from PubChem (CID 3848874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).