(4S)-4-methylthiadiazolidine

C3H8N2S — CID 89136214

IUPAC(4S)-4-methylthiadiazolidine
SMILESC[C@H]1CSNN1
InChIInChI=1S/C3H8N2S/c1-3-2-6-5-4-3/h3-5H,2H2,1H3/t3-/m0/s1
InChIKeyHVYYIIUKSCLBMN-VKHMYHEASA-N
MW104.18 g/mol
LogP0.13
Rot. Bonds

About (4S)-4-methylthiadiazolidine

(4S)-4-methylthiadiazolidine (PubChem CID 89136214) has the molecular formula C3H8N2S and a molecular weight of 104.18 g/mol. Its IUPAC name is (4S)-4-methylthiadiazolidine.

Molecular Properties

Compound Name(4S)-4-methylthiadiazolidine
PubChem CID89136214
Molecular FormulaC3H8N2S
Molecular Weight104.18 g/mol
Exact Mass104.04
IUPAC Name(4S)-4-methylthiadiazolidine
SMILESC[C@H]1CSNN1
InChIInChI=1S/C3H8N2S/c1-3-2-6-5-4-3/h3-5H,2H2,1H3/t3-/m0/s1
InChIKeyHVYYIIUKSCLBMN-VKHMYHEASA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methylthiadiazolidine?
The IUPAC name of (4S)-4-methylthiadiazolidine (CID 89136214) is (4S)-4-methylthiadiazolidine.
What is the SMILES notation for (4S)-4-methylthiadiazolidine?
The canonical SMILES for (4S)-4-methylthiadiazolidine is C[C@H]1CSNN1.
What is the InChIKey of (4S)-4-methylthiadiazolidine?
The InChIKey is HVYYIIUKSCLBMN-VKHMYHEASA-N. The full InChI is InChI=1S/C3H8N2S/c1-3-2-6-5-4-3/h3-5H,2H2,1H3/t3-/m0/s1.
What are the key properties of (4S)-4-methylthiadiazolidine?
(4S)-4-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 (4S)-4-methylthiadiazolidine is sourced from PubChem (CID 89136214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).