1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine

C3H10N2O2S — CID 91096968

IUPAC1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine
SMILESCN1CCNS1(O)O
InChIInChI=1S/C3H10N2O2S/c1-5-3-2-4-8(5,6)7/h4,6-7H,2-3H2,1H3
InChIKeyJTEPFMVPQYBAFA-UHFFFAOYSA-N
MW138.19 g/mol
LogP0.10
Rot. Bonds

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

1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine (PubChem CID 91096968) has the molecular formula C3H10N2O2S and a molecular weight of 138.19 g/mol. Its IUPAC name is 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine.

Molecular Properties

Compound Name1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine
PubChem CID91096968
Molecular FormulaC3H10N2O2S
Molecular Weight138.19 g/mol
Exact Mass138.05
IUPAC Name1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine
SMILESCN1CCNS1(O)O
InChIInChI=1S/C3H10N2O2S/c1-5-3-2-4-8(5,6)7/h4,6-7H,2-3H2,1H3
InChIKeyJTEPFMVPQYBAFA-UHFFFAOYSA-N
XLogP0.10
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 10393280
2-Methyl-1,2,5-thiadiazolidine 1-oxide
CID 23516050
2-Methyl-1,2,5-thiadiazolidine
CID 57798923
1,1-Dihydroxy-1,2,5-thiadiazolidine
CID 69736822
2-Methyl-1,2,5-thiadiazolidin-2-ium 1-oxide
CID 143050851
2-Ethyl-1-hydroxy-1-methoxy-1,2,5-thiadiazolidine
CID 178645431
1-Amino-2-[methyl(sulfino)amino]ethane
CID 57089331

Frequently Asked Questions

What is the IUPAC name of 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine?
The IUPAC name of 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine (CID 91096968) is 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine.
What is the SMILES notation for 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine?
The canonical SMILES for 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine is CN1CCNS1(O)O.
What is the InChIKey of 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine?
The InChIKey is JTEPFMVPQYBAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O2S/c1-5-3-2-4-8(5,6)7/h4,6-7H,2-3H2,1H3.
What are the key properties of 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine?
1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine has a molecular weight of 138.19 g/mol, XLogP of 0.10, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dihydroxy-2-methyl-1,2,5-thiadiazolidine is sourced from PubChem (CID 91096968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).