(1,1-dioxothiolan-3-yl)-methylazanium chloride

C5H12ClNO2S — CID 2736804

IUPAC(1,1-dioxothiolan-3-yl)-methylazanium chloride
SMILESC[NH2+]C1CCS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C5H11NO2S.ClH/c1-6-5-2-3-9(7,8)4-5;/h5-6H,2-4H2,1H3;1H
InChIKeyVCMVJUKSMDLDPE-UHFFFAOYSA-N
MW185.68 g/mol
LogP-4.63
Rot. Bonds1

About (1,1-dioxothiolan-3-yl)-methylazanium chloride

(1,1-dioxothiolan-3-yl)-methylazanium chloride (PubChem CID 2736804) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-methylazanium chloride.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-methylazanium chloride
PubChem CID2736804
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Name(1,1-dioxothiolan-3-yl)-methylazanium chloride
SMILESC[NH2+]C1CCS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C5H11NO2S.ClH/c1-6-5-2-3-9(7,8)4-5;/h5-6H,2-4H2,1H3;1H
InChIKeyVCMVJUKSMDLDPE-UHFFFAOYSA-N
XLogP-4.63
TPSA50.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 5-4.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1,1-dioxothiolan-3-yl)-methylazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)-methylazanium chloride?
The IUPAC name of (1,1-dioxothiolan-3-yl)-methylazanium chloride (CID 2736804) is (1,1-dioxothiolan-3-yl)-methylazanium chloride.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-methylazanium chloride?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-methylazanium chloride is C[NH2+]C1CCS(=O)(=O)C1.[Cl-].
What is the InChIKey of (1,1-dioxothiolan-3-yl)-methylazanium chloride?
The InChIKey is VCMVJUKSMDLDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.ClH/c1-6-5-2-3-9(7,8)4-5;/h5-6H,2-4H2,1H3;1H.
What are the key properties of (1,1-dioxothiolan-3-yl)-methylazanium chloride?
(1,1-dioxothiolan-3-yl)-methylazanium chloride has a molecular weight of 185.68 g/mol, XLogP of -4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)-methylazanium chloride is sourced from PubChem (CID 2736804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).