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

C5H12ClNO2S — CID 21177652

IUPAC(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride
SMILESCC1([NH3+])CCS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C5H11NO2S.ClH/c1-5(6)2-3-9(7,8)4-5;/h2-4,6H2,1H3;1H
InChIKeyQXTFWVCBUONAOS-UHFFFAOYSA-N
MW185.68 g/mol
LogP-4.19
Rot. Bonds

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

(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride (PubChem CID 21177652) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is (3-methyl-1,1-dioxothiolan-3-yl)azanium chloride.

Molecular Properties

Compound Name(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride
PubChem CID21177652
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Name(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride
SMILESCC1([NH3+])CCS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C5H11NO2S.ClH/c1-5(6)2-3-9(7,8)4-5;/h2-4,6H2,1H3;1H
InChIKeyQXTFWVCBUONAOS-UHFFFAOYSA-N
XLogP-4.19
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 5-4.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,1-dioxothiolan-3-yl)azanium chloride?
The IUPAC name of (3-methyl-1,1-dioxothiolan-3-yl)azanium chloride (CID 21177652) is (3-methyl-1,1-dioxothiolan-3-yl)azanium chloride.
What is the SMILES notation for (3-methyl-1,1-dioxothiolan-3-yl)azanium chloride?
The canonical SMILES for (3-methyl-1,1-dioxothiolan-3-yl)azanium chloride is CC1([NH3+])CCS(=O)(=O)C1.[Cl-].
What is the InChIKey of (3-methyl-1,1-dioxothiolan-3-yl)azanium chloride?
The InChIKey is QXTFWVCBUONAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.ClH/c1-5(6)2-3-9(7,8)4-5;/h2-4,6H2,1H3;1H.
What are the key properties of (3-methyl-1,1-dioxothiolan-3-yl)azanium chloride?
(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride has a molecular weight of 185.68 g/mol, XLogP of -4.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,1-dioxothiolan-3-yl)azanium chloride is sourced from PubChem (CID 21177652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).