2,3-di(propan-2-yl)-4,5-di(propan-2-ylidene)-1,2-thiazolidine 1,1-dioxide

C15H27NO2S — CID 170416406

IUPAC2,3-di(propan-2-yl)-4,5-di(propan-2-ylidene)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)=C1C(=C(C)C)S(=O)(=O)N(C(C)C)C1C(C)C
InChIInChI=1S/C15H27NO2S/c1-9(2)13-14(10(3)4)16(12(7)8)19(17,18)15(13)11(5)6/h10,12,14H,1-8H3
InChIKeyFJEULMAMDLQOLP-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.70
Rot. Bonds2

About 2,3-di(propan-2-yl)-4,5-di(propan-2-ylidene)-1,2-thiazolidine 1,1-dioxide

2,3-di(propan-2-yl)-4,5-di(propan-2-ylidene)-1,2-thiazolidine 1,1-dioxide (PubChem CID 170416406) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-4,5-di(propan-2-ylidene)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-4,5-di(propan-2-ylidene)-1,2-thiazolidine 1,1-dioxide
PubChem CID170416406
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name2,3-di(propan-2-yl)-4,5-di(propan-2-ylidene)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)=C1C(=C(C)C)S(=O)(=O)N(C(C)C)C1C(C)C
InChIInChI=1S/C15H27NO2S/c1-9(2)13-14(10(3)4)16(12(7)8)19(17,18)15(13)11(5)6/h10,12,14H,1-8H3
InChIKeyFJEULMAMDLQOLP-UHFFFAOYSA-N
XLogP3.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-4,5-di(propan-2-ylidene)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2,3-di(propan-2-yl)-4,5-di(propan-2-ylidene)-1,2-thiazolidine 1,1-dioxide (CID 170416406) is 2,3-di(propan-2-yl)-4,5-di(propan-2-ylidene)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2,3-di(propan-2-yl)-4,5-di(propan-2-ylidene)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2,3-di(propan-2-yl)-4,5-di(propan-2-ylidene)-1,2-thiazolidine 1,1-dioxide is CC(C)=C1C(=C(C)C)S(=O)(=O)N(C(C)C)C1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-4,5-di(propan-2-ylidene)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is FJEULMAMDLQOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-9(2)13-14(10(3)4)16(12(7)8)19(17,18)15(13)11(5)6/h10,12,14H,1-8H3.
What are the key properties of 2,3-di(propan-2-yl)-4,5-di(propan-2-ylidene)-1,2-thiazolidine 1,1-dioxide?
2,3-di(propan-2-yl)-4,5-di(propan-2-ylidene)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 285.45 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-4,5-di(propan-2-ylidene)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 170416406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).