4,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide

C9H19NO2S — CID 58964379

IUPAC4,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)C1(C(C)C)CNS(=O)(=O)C1
InChIInChI=1S/C9H19NO2S/c1-7(2)9(8(3)4)5-10-13(11,12)6-9/h7-8,10H,5-6H2,1-4H3
InChIKeyTZXANGNDJQYIMQ-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.22
Rot. Bonds2

About 4,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide

4,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 58964379) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 4,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name4,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID58964379
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name4,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)C1(C(C)C)CNS(=O)(=O)C1
InChIInChI=1S/C9H19NO2S/c1-7(2)9(8(3)4)5-10-13(11,12)6-9/h7-8,10H,5-6H2,1-4H3
InChIKeyTZXANGNDJQYIMQ-UHFFFAOYSA-N
XLogP1.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 4,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide (CID 58964379) is 4,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 4,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 4,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide is CC(C)C1(C(C)C)CNS(=O)(=O)C1.
What is the InChIKey of 4,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is TZXANGNDJQYIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-7(2)9(8(3)4)5-10-13(11,12)6-9/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 4,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
4,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 205.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 58964379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).