5,5-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide

C9H19NO2S — CID 58602445

IUPAC5,5-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)CN1CCC(C)(C)S1(=O)=O
InChIInChI=1S/C9H19NO2S/c1-8(2)7-10-6-5-9(3,4)13(10,11)12/h8H,5-7H2,1-4H3
InChIKeyQFCPACLSSVKVSE-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.46
Rot. Bonds2

About 5,5-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide

5,5-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 58602445) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 5,5-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name5,5-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID58602445
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name5,5-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)CN1CCC(C)(C)S1(=O)=O
InChIInChI=1S/C9H19NO2S/c1-8(2)7-10-6-5-9(3,4)13(10,11)12/h8H,5-7H2,1-4H3
InChIKeyQFCPACLSSVKVSE-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 5,5-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide (CID 58602445) is 5,5-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 5,5-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 5,5-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide is CC(C)CN1CCC(C)(C)S1(=O)=O.
What is the InChIKey of 5,5-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is QFCPACLSSVKVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)7-10-6-5-9(3,4)13(10,11)12/h8H,5-7H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide?
5,5-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 205.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 58602445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).