2-methyl-2-oxidothiadiazolidin-2-ium

C3H8N2OS — CID 88661242

IUPAC2-methyl-2-oxidothiadiazolidin-2-ium
SMILESC[N+]1([O-])NCCS1
InChIInChI=1S/C3H8N2OS/c1-5(6)4-2-3-7-5/h4H,2-3H2,1H3
InChIKeyZJXMZFUIZKLXQX-UHFFFAOYSA-N
MW120.18 g/mol
LogP0.10
Rot. Bonds

About 2-methyl-2-oxidothiadiazolidin-2-ium

2-methyl-2-oxidothiadiazolidin-2-ium (PubChem CID 88661242) has the molecular formula C3H8N2OS and a molecular weight of 120.18 g/mol. Its IUPAC name is 2-methyl-2-oxidothiadiazolidin-2-ium.

Molecular Properties

Compound Name2-methyl-2-oxidothiadiazolidin-2-ium
PubChem CID88661242
Molecular FormulaC3H8N2OS
Molecular Weight120.18 g/mol
Exact Mass120.04
IUPAC Name2-methyl-2-oxidothiadiazolidin-2-ium
SMILESC[N+]1([O-])NCCS1
InChIInChI=1S/C3H8N2OS/c1-5(6)4-2-3-7-5/h4H,2-3H2,1H3
InChIKeyZJXMZFUIZKLXQX-UHFFFAOYSA-N
XLogP0.10
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Thiadiazolidin-2-ium 2-oxide
CID 57010971
2-Hydroxythiadiazolidine
CID 23067435
2-Methylthiadiazolidine
CID 57052603
2-Methylthiadiazolidine;hydroiodide
CID 69586598
3-Oxidothiadiazolidin-3-ium
CID 87192700
(5R)-5-methylthiadiazolidine
CID 89109766
5-Methylthiatriazolidine
CID 145818130
2-Hydroxy-5-methylthiadiazolidine
CID 154935812
N-methylthiadiazolidin-2-amine
CID 163500863
2-Methyl-1-thia-2-azonia-3-azanidacyclopentane
CID 163796585
Azane;thiadiazolidine
CID 172712611
2-Oxidothiadiazolidin-2-ium bromide
CID 173095361

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-oxidothiadiazolidin-2-ium?
The IUPAC name of 2-methyl-2-oxidothiadiazolidin-2-ium (CID 88661242) is 2-methyl-2-oxidothiadiazolidin-2-ium.
What is the SMILES notation for 2-methyl-2-oxidothiadiazolidin-2-ium?
The canonical SMILES for 2-methyl-2-oxidothiadiazolidin-2-ium is C[N+]1([O-])NCCS1.
What is the InChIKey of 2-methyl-2-oxidothiadiazolidin-2-ium?
The InChIKey is ZJXMZFUIZKLXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2OS/c1-5(6)4-2-3-7-5/h4H,2-3H2,1H3.
What are the key properties of 2-methyl-2-oxidothiadiazolidin-2-ium?
2-methyl-2-oxidothiadiazolidin-2-ium has a molecular weight of 120.18 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-oxidothiadiazolidin-2-ium is sourced from PubChem (CID 88661242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).