2,3,3,4,4,5,5-heptamethyl-1,2-thiazolidine 1,1-dioxide

C10H21NO2S — CID 20720085

IUPAC2,3,3,4,4,5,5-heptamethyl-1,2-thiazolidine 1,1-dioxide
SMILESCN1C(C)(C)C(C)(C)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H21NO2S/c1-8(2)9(3,4)11(7)14(12,13)10(8,5)6/h1-7H3
InChIKeyKJYGBXWTFHXSCW-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.85
Rot. Bonds

About 2,3,3,4,4,5,5-heptamethyl-1,2-thiazolidine 1,1-dioxide

2,3,3,4,4,5,5-heptamethyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 20720085) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2,3,3,4,4,5,5-heptamethyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2,3,3,4,4,5,5-heptamethyl-1,2-thiazolidine 1,1-dioxide
PubChem CID20720085
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2,3,3,4,4,5,5-heptamethyl-1,2-thiazolidine 1,1-dioxide
SMILESCN1C(C)(C)C(C)(C)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H21NO2S/c1-8(2)9(3,4)11(7)14(12,13)10(8,5)6/h1-7H3
InChIKeyKJYGBXWTFHXSCW-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4,5,5-heptamethyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2,3,3,4,4,5,5-heptamethyl-1,2-thiazolidine 1,1-dioxide (CID 20720085) is 2,3,3,4,4,5,5-heptamethyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2,3,3,4,4,5,5-heptamethyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2,3,3,4,4,5,5-heptamethyl-1,2-thiazolidine 1,1-dioxide is CN1C(C)(C)C(C)(C)C(C)(C)S1(=O)=O.
What is the InChIKey of 2,3,3,4,4,5,5-heptamethyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is KJYGBXWTFHXSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(2)9(3,4)11(7)14(12,13)10(8,5)6/h1-7H3.
What are the key properties of 2,3,3,4,4,5,5-heptamethyl-1,2-thiazolidine 1,1-dioxide?
2,3,3,4,4,5,5-heptamethyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 219.35 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5-heptamethyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 20720085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).