2-tert-butyl-4-methyl-1,2,5-thiadiazolidine

C7H16N2S — CID 174934449

IUPAC2-tert-butyl-4-methyl-1,2,5-thiadiazolidine
SMILESCC1CN(C(C)(C)C)SN1
InChIInChI=1S/C7H16N2S/c1-6-5-9(10-8-6)7(2,3)4/h6,8H,5H2,1-4H3
InChIKeyPROCRMBMRAZBMC-UHFFFAOYSA-N
MW160.29 g/mol
LogP1.64
Rot. Bonds

About 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine

2-tert-butyl-4-methyl-1,2,5-thiadiazolidine (PubChem CID 174934449) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-1,2,5-thiadiazolidine
PubChem CID174934449
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name2-tert-butyl-4-methyl-1,2,5-thiadiazolidine
SMILESCC1CN(C(C)(C)C)SN1
InChIInChI=1S/C7H16N2S/c1-6-5-9(10-8-6)7(2,3)4/h6,8H,5H2,1-4H3
InChIKeyPROCRMBMRAZBMC-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.64
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

2,3,4-Trimethyl-1,2,5-thiadiazolidine
CID 20583495
2,3-Dimethyl-1,2,5-thiadiazolidine
CID 70086730
N-pyrrolidin-1-ylsulfanylpropan-2-amine
CID 88266039
2-Tert-butyl-1,2,5-thiadiazolidine
CID 118697787
2-Propan-2-yl-1,2,5-thiadiazolidine
CID 123695274
ethane;methane;molecular hydrogen;N-pyrrolidin-3-ylthiohydroxylamine
CID 142251230
(3S,4R)-3-N-propan-2-yl-1-sulfanylpyrrolidine-3,4-diamine
CID 156040924
3-methyl-N-propan-2-yl-1-sulfanylpyrrolidin-3-amine
CID 167119970
4-Methyl-2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 167274030
N-[(3-ethyl-1,2,5-thiadiazolidin-3-yl)methyl]ethanamine
CID 169980726
(3S,4R)-N-ethyl-4-methyl-1-sulfanylpyrrolidin-3-amine
CID 174377438
(4S)-2-tert-butyl-4-methyl-1,2,5-thiadiazolidine
CID 174934447

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine?
The IUPAC name of 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine (CID 174934449) is 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine.
What is the SMILES notation for 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine?
The canonical SMILES for 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine is CC1CN(C(C)(C)C)SN1.
What is the InChIKey of 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine?
The InChIKey is PROCRMBMRAZBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-6-5-9(10-8-6)7(2,3)4/h6,8H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine?
2-tert-butyl-4-methyl-1,2,5-thiadiazolidine has a molecular weight of 160.29 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-1,2,5-thiadiazolidine is sourced from PubChem (CID 174934449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).