2,3,4-trimethyl-1,2-thiazolidine 1,1-dioxide

C6H13NO2S — CID 77398192

IUPAC2,3,4-trimethyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1CS(=O)(=O)N(C)C1C
InChIInChI=1S/C6H13NO2S/c1-5-4-10(8,9)7(3)6(5)2/h5-6H,4H2,1-3H3
InChIKeyADXJHVMIWNFBHP-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.29
Rot. Bonds

About 2,3,4-trimethyl-1,2-thiazolidine 1,1-dioxide

2,3,4-trimethyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 77398192) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2,3,4-trimethyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2,3,4-trimethyl-1,2-thiazolidine 1,1-dioxide
PubChem CID77398192
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2,3,4-trimethyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1CS(=O)(=O)N(C)C1C
InChIInChI=1S/C6H13NO2S/c1-5-4-10(8,9)7(3)6(5)2/h5-6H,4H2,1-3H3
InChIKeyADXJHVMIWNFBHP-UHFFFAOYSA-N
XLogP0.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Iodomethyl)-2-methyl-1,2-thiazolidine 1,1-dioxide
CID 155931363
1-(Ethylsulfonyl)-3-(fluoromethyl)pyrrolidine
CID 122244988
(3S)-1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine
CID 129529410
(3R)-1-ethylsulfonyl-3-(fluoromethyl)pyrrolidine
CID 129529411
2-Isopropylisothiazolidine 1,1-dioxide
CID 10749528
2-(2-Methylpropyl)-1,2-thiazolidine 1,1-dioxide
CID 10773654
2,3-Dimethyl-1,2-thiazolidine 1,1-dioxide
CID 14067924
2-Methylisothiazolidine 1,1-dioxide
CID 15577564
2,3,3-Trimethyl-1,2-thiazolidine 1,1-dioxide
CID 20743502
2-(tert-Butyl)isothiazolidine 1,1-dioxide
CID 21132146
3,4,5-Trimethyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 57870643
1-(3-Methylbutylsulfonyl)pyrrolidine
CID 58689031

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2,3,4-trimethyl-1,2-thiazolidine 1,1-dioxide (CID 77398192) is 2,3,4-trimethyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2,3,4-trimethyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2,3,4-trimethyl-1,2-thiazolidine 1,1-dioxide is CC1CS(=O)(=O)N(C)C1C.
What is the InChIKey of 2,3,4-trimethyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is ADXJHVMIWNFBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-5-4-10(8,9)7(3)6(5)2/h5-6H,4H2,1-3H3.
What are the key properties of 2,3,4-trimethyl-1,2-thiazolidine 1,1-dioxide?
2,3,4-trimethyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 163.24 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 77398192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).