(4S)-2,4-dimethyl-1,2,5-thiadiazolidine

C4H10N2S — CID 174934461

IUPAC(4S)-2,4-dimethyl-1,2,5-thiadiazolidine
SMILESC[C@H]1CN(C)SN1
InChIInChI=1S/C4H10N2S/c1-4-3-6(2)7-5-4/h4-5H,3H2,1-2H3/t4-/m0/s1
InChIKeyBRBXMNKSRKEJPR-BYPYZUCNSA-N
MW118.20 g/mol
LogP0.47
Rot. Bonds

About (4S)-2,4-dimethyl-1,2,5-thiadiazolidine

(4S)-2,4-dimethyl-1,2,5-thiadiazolidine (PubChem CID 174934461) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is (4S)-2,4-dimethyl-1,2,5-thiadiazolidine.

Molecular Properties

Compound Name(4S)-2,4-dimethyl-1,2,5-thiadiazolidine
PubChem CID174934461
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Name(4S)-2,4-dimethyl-1,2,5-thiadiazolidine
SMILESC[C@H]1CN(C)SN1
InChIInChI=1S/C4H10N2S/c1-4-3-6(2)7-5-4/h4-5H,3H2,1-2H3/t4-/m0/s1
InChIKeyBRBXMNKSRKEJPR-BYPYZUCNSA-N
XLogP0.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 19873535
4-Amino-1,2-dimethylpyrazolidine
CID 20226460
2,3,4,5-Tetramethyl-1,2,5-thiadiazolidine
CID 20583494
2,3,4-Trimethyl-1,2,5-thiadiazolidine
CID 20583495
3,4-Dimethyl-1,2,5-thiadiazolidine
CID 20583503
copper 2-N,3-N-dimethylbutane-2,3-diamine
CID 57568756
2-Cyclopropyl-1,2,5-thiadiazolidine
CID 69348749
2,3-Dimethyl-1,2,5-thiadiazolidine
CID 70086730
N-pyrrolidin-1-ylsulfanylpropan-2-amine
CID 88266039
N-methyl-N-pyrrolidin-3-ylthiohydroxylamine
CID 88966938
N-pyrrolidin-3-ylthiohydroxylamine
CID 88967029
4-Methyl-2-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
CID 89038662

Frequently Asked Questions

What is the IUPAC name of (4S)-2,4-dimethyl-1,2,5-thiadiazolidine?
The IUPAC name of (4S)-2,4-dimethyl-1,2,5-thiadiazolidine (CID 174934461) is (4S)-2,4-dimethyl-1,2,5-thiadiazolidine.
What is the SMILES notation for (4S)-2,4-dimethyl-1,2,5-thiadiazolidine?
The canonical SMILES for (4S)-2,4-dimethyl-1,2,5-thiadiazolidine is C[C@H]1CN(C)SN1.
What is the InChIKey of (4S)-2,4-dimethyl-1,2,5-thiadiazolidine?
The InChIKey is BRBXMNKSRKEJPR-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H10N2S/c1-4-3-6(2)7-5-4/h4-5H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (4S)-2,4-dimethyl-1,2,5-thiadiazolidine?
(4S)-2,4-dimethyl-1,2,5-thiadiazolidine has a molecular weight of 118.20 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4-dimethyl-1,2,5-thiadiazolidine is sourced from PubChem (CID 174934461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).