4,5-ditert-butyl-2-propyl-1,2-thiazolidine 1,1-dioxide

C14H29NO2S — CID 59996874

IUPAC4,5-ditert-butyl-2-propyl-1,2-thiazolidine 1,1-dioxide
SMILESCCCN1CC(C(C)(C)C)C(C(C)(C)C)S1(=O)=O
InChIInChI=1S/C14H29NO2S/c1-8-9-15-10-11(13(2,3)4)12(14(5,6)7)18(15,16)17/h11-12H,8-10H2,1-7H3
InChIKeyDUZYQBJXYBJDNU-UHFFFAOYSA-N
MW275.46 g/mol
LogP3.12
Rot. Bonds2

About 4,5-ditert-butyl-2-propyl-1,2-thiazolidine 1,1-dioxide

4,5-ditert-butyl-2-propyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 59996874) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 4,5-ditert-butyl-2-propyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name4,5-ditert-butyl-2-propyl-1,2-thiazolidine 1,1-dioxide
PubChem CID59996874
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name4,5-ditert-butyl-2-propyl-1,2-thiazolidine 1,1-dioxide
SMILESCCCN1CC(C(C)(C)C)C(C(C)(C)C)S1(=O)=O
InChIInChI=1S/C14H29NO2S/c1-8-9-15-10-11(13(2,3)4)12(14(5,6)7)18(15,16)17/h11-12H,8-10H2,1-7H3
InChIKeyDUZYQBJXYBJDNU-UHFFFAOYSA-N
XLogP3.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isothiazolidine, 2-(2,4,4-trimethyl-2-pentyl)-, 1,1-dioxide
CID 52616
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(2S)-2-cyclohexyl-1-(3,3-dimethylbutylsulfonyl)pyrrolidine
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3-Tert-butyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
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1-Butylsulfonyl-2-propan-2-ylpyrrolidine
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(2R)-1-butylsulfonyl-2-propan-2-ylpyrrolidine
CID 155936753
3-Propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine
CID 143480644
1-(4,4-Dimethylpentylsulfonyl)-3-fluoro-3-methylpyrrolidine
CID 167540336
1-(2-Methylsulfonylethyl)-3-propylpyrrolidine
CID 72114172
N-(4,4-dimethylpentyl)-N-propylpropane-1-sulfonamide
CID 18735964
3-Tert-butyl-1-methylsulfonylpyrrolidine
CID 20792959
(3S)-1-methylsulfonyl-3-propylpyrrolidine
CID 57000847

Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2-propyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 4,5-ditert-butyl-2-propyl-1,2-thiazolidine 1,1-dioxide (CID 59996874) is 4,5-ditert-butyl-2-propyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 4,5-ditert-butyl-2-propyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 4,5-ditert-butyl-2-propyl-1,2-thiazolidine 1,1-dioxide is CCCN1CC(C(C)(C)C)C(C(C)(C)C)S1(=O)=O.
What is the InChIKey of 4,5-ditert-butyl-2-propyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is DUZYQBJXYBJDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-8-9-15-10-11(13(2,3)4)12(14(5,6)7)18(15,16)17/h11-12H,8-10H2,1-7H3.
What are the key properties of 4,5-ditert-butyl-2-propyl-1,2-thiazolidine 1,1-dioxide?
4,5-ditert-butyl-2-propyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 275.46 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-2-propyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 59996874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).