2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide

C6H14N2O2S — CID 58799874

IUPAC2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)CN1CCNS1(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-6(2)5-8-4-3-7-11(8,9)10/h6-7H,3-5H2,1-2H3
InChIKeyGZORHIRKGSHBIS-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.21
Rot. Bonds2

About 2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide

2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 58799874) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID58799874
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)CN1CCNS1(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-6(2)5-8-4-3-7-11(8,9)10/h6-7H,3-5H2,1-2H3
InChIKeyGZORHIRKGSHBIS-UHFFFAOYSA-N
XLogP-0.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,5-Thiadiazolidine, 2-ethyl-, 1,1-dioxide
CID 10419354
2-Isopropyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 10397135
2-(2-Aminoethyl)-1lambda6,2,5-thiadiazolidine-1,1-dione
CID 68282469
2-Butyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 11412706
2-(tert-Butyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 12412514
2,4-Dimethyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 19873535
N-ethylpyrrolidine-1-sulfonamide
CID 43243221
2-(2-Aminoethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 57697904
(4R)-2-(2-methylpropyl)-4-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
CID 57765394
(4S)-2-(2-methylpropyl)-4-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
CID 57765449
2-(2,2-Dimethylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 57974838
2-Methyl-5-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 58799598

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 58799874) is 2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide is CC(C)CN1CCNS1(=O)=O.
What is the InChIKey of 2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is GZORHIRKGSHBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-6(2)5-8-4-3-7-11(8,9)10/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide?
2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 178.26 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 58799874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).