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

C9H19NO2S — CID 59706655

IUPAC(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)[C@@H]1[C@H](C(C)C)CNS1(=O)=O
InChIInChI=1S/C9H19NO2S/c1-6(2)8-5-10-13(11,12)9(8)7(3)4/h6-10H,5H2,1-4H3/t8-,9+/m0/s1
InChIKeyDOSLPNOSLLEUCI-DTWKUNHWSA-N
MW205.32 g/mol
LogP1.22
Rot. Bonds2

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

(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 59706655) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is (4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID59706655
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)[C@@H]1[C@H](C(C)C)CNS1(=O)=O
InChIInChI=1S/C9H19NO2S/c1-6(2)8-5-10-13(11,12)9(8)7(3)4/h6-10H,5H2,1-4H3/t8-,9+/m0/s1
InChIKeyDOSLPNOSLLEUCI-DTWKUNHWSA-N
XLogP1.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of (4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide (CID 59706655) is (4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for (4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for (4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide is CC(C)[C@@H]1[C@H](C(C)C)CNS1(=O)=O.
What is the InChIKey of (4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is DOSLPNOSLLEUCI-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-6(2)8-5-10-13(11,12)9(8)7(3)4/h6-10H,5H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of (4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 205.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 59706655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).