2-tert-butyl-1,2,5-thiadiazolidine

C6H14N2S — CID 118697787

IUPAC2-tert-butyl-1,2,5-thiadiazolidine
SMILESCC(C)(C)N1CCNS1
InChIInChI=1S/C6H14N2S/c1-6(2,3)8-5-4-7-9-8/h7H,4-5H2,1-3H3
InChIKeyRTTNQCWRHQRVTQ-UHFFFAOYSA-N
MW146.26 g/mol
LogP1.25
Rot. Bonds

About 2-tert-butyl-1,2,5-thiadiazolidine

2-tert-butyl-1,2,5-thiadiazolidine (PubChem CID 118697787) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is 2-tert-butyl-1,2,5-thiadiazolidine.

Molecular Properties

Compound Name2-tert-butyl-1,2,5-thiadiazolidine
PubChem CID118697787
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name2-tert-butyl-1,2,5-thiadiazolidine
SMILESCC(C)(C)N1CCNS1
InChIInChI=1S/C6H14N2S/c1-6(2,3)8-5-4-7-9-8/h7H,4-5H2,1-3H3
InChIKeyRTTNQCWRHQRVTQ-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 51.25
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-(tert-Butyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 12412514
2,3,4-Trimethyl-1,2,5-thiadiazolidine
CID 20583495
3,3-Dimethyl-1,2,5-thiadiazolidine
CID 56990736
2,3-Dimethyl-1,2,5-thiadiazolidine
CID 70086730
2-Ethyl-1,2,5-thiadiazolidine
CID 70101760
2-Propan-2-yl-1,2,5-thiadiazolidine
CID 123695274
N-[2-(tert-butylamino)ethyl]thiohydroxylamine
CID 141784399
2-(5-Methyl-1,2,5-thiadiazolidin-2-yl)ethanamine
CID 142741769
3-Methyl-1-sulfanylpyrrolidin-3-amine
CID 144442492
(4S)-2-tert-butyl-4-methyl-1,2,5-thiadiazolidine
CID 174934447
2-Tert-butyl-4-methyl-1,2,5-thiadiazolidine
CID 174934449
(4S)-2,4-dimethyl-1,2,5-thiadiazolidine
CID 174934461

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,2,5-thiadiazolidine?
The IUPAC name of 2-tert-butyl-1,2,5-thiadiazolidine (CID 118697787) is 2-tert-butyl-1,2,5-thiadiazolidine.
What is the SMILES notation for 2-tert-butyl-1,2,5-thiadiazolidine?
The canonical SMILES for 2-tert-butyl-1,2,5-thiadiazolidine is CC(C)(C)N1CCNS1.
What is the InChIKey of 2-tert-butyl-1,2,5-thiadiazolidine?
The InChIKey is RTTNQCWRHQRVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-6(2,3)8-5-4-7-9-8/h7H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-1,2,5-thiadiazolidine?
2-tert-butyl-1,2,5-thiadiazolidine has a molecular weight of 146.26 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,2,5-thiadiazolidine is sourced from PubChem (CID 118697787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).