2-propan-2-yl-1,2,5-thiadiazolidine

C5H12N2S — CID 123695274

IUPAC2-propan-2-yl-1,2,5-thiadiazolidine
SMILESCC(C)N1CCNS1
InChIInChI=1S/C5H12N2S/c1-5(2)7-4-3-6-8-7/h5-6H,3-4H2,1-2H3
InChIKeyRFPYUWCGPZRRAW-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.86
Rot. Bonds1

About 2-propan-2-yl-1,2,5-thiadiazolidine

2-propan-2-yl-1,2,5-thiadiazolidine (PubChem CID 123695274) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is 2-propan-2-yl-1,2,5-thiadiazolidine.

Molecular Properties

Compound Name2-propan-2-yl-1,2,5-thiadiazolidine
PubChem CID123695274
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name2-propan-2-yl-1,2,5-thiadiazolidine
SMILESCC(C)N1CCNS1
InChIInChI=1S/C5H12N2S/c1-5(2)7-4-3-6-8-7/h5-6H,3-4H2,1-2H3
InChIKeyRFPYUWCGPZRRAW-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.86
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-Isopropyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 10397135
2,3,4-Trimethyl-1,2,5-thiadiazolidine
CID 20583495
3,4-Dimethyl-1,2,5-thiadiazolidine
CID 20583503
2-Cyclopropyl-1,2,5-thiadiazolidine
CID 69348749
2,3-Dimethyl-1,2,5-thiadiazolidine
CID 70086730
2-Ethyl-1,2,5-thiadiazolidine
CID 70101760
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
(4R)-2-ethyl-4-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 89168309
2-Ethyl-1,2,5-thiadiazolidine 1-oxide
CID 89189912

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,2,5-thiadiazolidine?
The IUPAC name of 2-propan-2-yl-1,2,5-thiadiazolidine (CID 123695274) is 2-propan-2-yl-1,2,5-thiadiazolidine.
What is the SMILES notation for 2-propan-2-yl-1,2,5-thiadiazolidine?
The canonical SMILES for 2-propan-2-yl-1,2,5-thiadiazolidine is CC(C)N1CCNS1.
What is the InChIKey of 2-propan-2-yl-1,2,5-thiadiazolidine?
The InChIKey is RFPYUWCGPZRRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-5(2)7-4-3-6-8-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,2,5-thiadiazolidine?
2-propan-2-yl-1,2,5-thiadiazolidine has a molecular weight of 132.23 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,2,5-thiadiazolidine is sourced from PubChem (CID 123695274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).