2-methyl-1,2,5-thiadiazolidine 1-oxide

C3H8N2OS — CID 23516050

IUPAC2-methyl-1,2,5-thiadiazolidine 1-oxide
SMILESCN1CCNS1=O
InChIInChI=1S/C3H8N2OS/c1-5-3-2-4-7(5)6/h4H,2-3H2,1H3
InChIKeyLSPQMGOYMAAXJU-UHFFFAOYSA-N
MW120.18 g/mol
LogP-0.90
Rot. Bonds

About 2-methyl-1,2,5-thiadiazolidine 1-oxide

2-methyl-1,2,5-thiadiazolidine 1-oxide (PubChem CID 23516050) has the molecular formula C3H8N2OS and a molecular weight of 120.18 g/mol. Its IUPAC name is 2-methyl-1,2,5-thiadiazolidine 1-oxide.

Molecular Properties

Compound Name2-methyl-1,2,5-thiadiazolidine 1-oxide
PubChem CID23516050
Molecular FormulaC3H8N2OS
Molecular Weight120.18 g/mol
Exact Mass120.04
IUPAC Name2-methyl-1,2,5-thiadiazolidine 1-oxide
SMILESCN1CCNS1=O
InChIInChI=1S/C3H8N2OS/c1-5-3-2-4-7(5)6/h4H,2-3H2,1H3
InChIKeyLSPQMGOYMAAXJU-UHFFFAOYSA-N
XLogP-0.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.18
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 10393280
2-Methyl-1,2,5-thiadiazolidine
CID 57798923
2-Ethyl-1,2,5-thiadiazolidine
CID 70101760
2-Ethyl-1,2,5-thiadiazolidine 1-oxide
CID 89189912
1,1-Dihydroxy-2-methyl-1,2,5-thiadiazolidine
CID 91096968
2-(1,2,5-Thiadiazolidin-2-yl)ethanamine
CID 123308254
2-Azanidylethyl(methyl)azanide;cobalt(2+)
CID 141815693
2-(5-Methyl-1,2,5-thiadiazolidin-2-yl)ethanamine
CID 142741769
2-Methyl-1,2,5-thiadiazolidin-2-ium 1-oxide
CID 143050851
CID 163620689
CID 163620689
CID 147813539
CID 147813539

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,5-thiadiazolidine 1-oxide?
The IUPAC name of 2-methyl-1,2,5-thiadiazolidine 1-oxide (CID 23516050) is 2-methyl-1,2,5-thiadiazolidine 1-oxide.
What is the SMILES notation for 2-methyl-1,2,5-thiadiazolidine 1-oxide?
The canonical SMILES for 2-methyl-1,2,5-thiadiazolidine 1-oxide is CN1CCNS1=O.
What is the InChIKey of 2-methyl-1,2,5-thiadiazolidine 1-oxide?
The InChIKey is LSPQMGOYMAAXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2OS/c1-5-3-2-4-7(5)6/h4H,2-3H2,1H3.
What are the key properties of 2-methyl-1,2,5-thiadiazolidine 1-oxide?
2-methyl-1,2,5-thiadiazolidine 1-oxide has a molecular weight of 120.18 g/mol, XLogP of -0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,5-thiadiazolidine 1-oxide is sourced from PubChem (CID 23516050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).