(5R)-5-methylthiadiazolidine

C3H8N2S — CID 89109766

IUPAC(5R)-5-methylthiadiazolidine
SMILESC[C@@H]1CNNS1
InChIInChI=1S/C3H8N2S/c1-3-2-4-5-6-3/h3-5H,2H2,1H3/t3-/m1/s1
InChIKeyMGZJKPZWFHGMBA-GSVOUGTGSA-N
MW104.18 g/mol
LogP0.13
Rot. Bonds

About (5R)-5-methylthiadiazolidine

(5R)-5-methylthiadiazolidine (PubChem CID 89109766) has the molecular formula C3H8N2S and a molecular weight of 104.18 g/mol. Its IUPAC name is (5R)-5-methylthiadiazolidine.

Molecular Properties

Compound Name(5R)-5-methylthiadiazolidine
PubChem CID89109766
Molecular FormulaC3H8N2S
Molecular Weight104.18 g/mol
Exact Mass104.04
IUPAC Name(5R)-5-methylthiadiazolidine
SMILESC[C@@H]1CNNS1
InChIInChI=1S/C3H8N2S/c1-3-2-4-5-6-3/h3-5H,2H2,1H3/t3-/m1/s1
InChIKeyMGZJKPZWFHGMBA-GSVOUGTGSA-N
XLogP0.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thiadiazolidine
CID 21887071
4-(Disulfanyl)pyrazolidine
CID 19376814
Pyrazolidine-4-thiol
CID 19939944
2-Methylthiadiazolidine
CID 57052603
2-Butylthiadiazolidine
CID 57164517
5,5-Dimethylthiadiazolidine
CID 57946181
2-Methylthiadiazolidine;hydroiodide
CID 69586598
(2R)-2-methyl-1,3,4-thiadiazolidine
CID 70308765
2-Butylthiadiazolidine;hydrobromide
CID 70531942
2-Methyl-1,3,4-thiadiazolidine
CID 77817629
2-Methyl-2-oxidothiadiazolidin-2-ium
CID 88661242
(4S)-4-methylthiadiazolidine
CID 89136214

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methylthiadiazolidine?
The IUPAC name of (5R)-5-methylthiadiazolidine (CID 89109766) is (5R)-5-methylthiadiazolidine.
What is the SMILES notation for (5R)-5-methylthiadiazolidine?
The canonical SMILES for (5R)-5-methylthiadiazolidine is C[C@@H]1CNNS1.
What is the InChIKey of (5R)-5-methylthiadiazolidine?
The InChIKey is MGZJKPZWFHGMBA-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H8N2S/c1-3-2-4-5-6-3/h3-5H,2H2,1H3/t3-/m1/s1.
What are the key properties of (5R)-5-methylthiadiazolidine?
(5R)-5-methylthiadiazolidine has a molecular weight of 104.18 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methylthiadiazolidine is sourced from PubChem (CID 89109766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).