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

C6H14ClNO2S — CID 16896470

IUPACmethyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride
SMILESC[NH2+]C1(C)CCS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C6H13NO2S.ClH/c1-6(7-2)3-4-10(8,9)5-6;/h7H,3-5H2,1-2H3;1H
InChIKeyKKOABHQEKCTCJY-UHFFFAOYSA-N
MW199.70 g/mol
LogP-4.24
Rot. Bonds1

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

methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride (PubChem CID 16896470) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride.

Molecular Properties

Compound Namemethyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride
PubChem CID16896470
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC Namemethyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride
SMILESC[NH2+]C1(C)CCS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C6H13NO2S.ClH/c1-6(7-2)3-4-10(8,9)5-6;/h7H,3-5H2,1-2H3;1H
InChIKeyKKOABHQEKCTCJY-UHFFFAOYSA-N
XLogP-4.24
TPSA50.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 5-4.24
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 chloride?
The IUPAC name of methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride (CID 16896470) is methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride.
What is the SMILES notation for methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride?
The canonical SMILES for methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride is C[NH2+]C1(C)CCS(=O)(=O)C1.[Cl-].
What is the InChIKey of methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride?
The InChIKey is KKOABHQEKCTCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.ClH/c1-6(7-2)3-4-10(8,9)5-6;/h7H,3-5H2,1-2H3;1H.
What are the key properties of methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride?
methyl-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride has a molecular weight of 199.70 g/mol, XLogP of -4.24, 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 chloride is sourced from PubChem (CID 16896470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).