3,3-di(propan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide

C8H18N2O2S — CID 58964382

IUPAC3,3-di(propan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)C1(C(C)C)CNS(=O)(=O)N1
InChIInChI=1S/C8H18N2O2S/c1-6(2)8(7(3)4)5-9-13(11,12)10-8/h6-7,9-10H,5H2,1-4H3
InChIKeyRCHQZTWBGLUJPH-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.47
Rot. Bonds2

About 3,3-di(propan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide

3,3-di(propan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 58964382) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3,3-di(propan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3,3-di(propan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID58964382
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name3,3-di(propan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(C)C1(C(C)C)CNS(=O)(=O)N1
InChIInChI=1S/C8H18N2O2S/c1-6(2)8(7(3)4)5-9-13(11,12)10-8/h6-7,9-10H,5H2,1-4H3
InChIKeyRCHQZTWBGLUJPH-UHFFFAOYSA-N
XLogP0.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-di(propan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 3,3-di(propan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 58964382) is 3,3-di(propan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 3,3-di(propan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 3,3-di(propan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide is CC(C)C1(C(C)C)CNS(=O)(=O)N1.
What is the InChIKey of 3,3-di(propan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is RCHQZTWBGLUJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-6(2)8(7(3)4)5-9-13(11,12)10-8/h6-7,9-10H,5H2,1-4H3.
What are the key properties of 3,3-di(propan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide?
3,3-di(propan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 206.31 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(propan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 58964382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).