(3R,4S,5R)-2,5-dimethyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide

C11H23NO2S — CID 59706753

IUPAC(3R,4S,5R)-2,5-dimethyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)[C@H]1[C@@H](C(C)C)N(C)S(=O)(=O)[C@@H]1C
InChIInChI=1S/C11H23NO2S/c1-7(2)10-9(5)15(13,14)12(6)11(10)8(3)4/h7-11H,1-6H3/t9-,10-,11-/m1/s1
InChIKeyBNYVTYRDOKQZIS-GMTAPVOTSA-N
MW233.38 g/mol
LogP1.95
Rot. Bonds2

About (3R,4S,5R)-2,5-dimethyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide

(3R,4S,5R)-2,5-dimethyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 59706753) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is (3R,4S,5R)-2,5-dimethyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name(3R,4S,5R)-2,5-dimethyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID59706753
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name(3R,4S,5R)-2,5-dimethyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)[C@H]1[C@@H](C(C)C)N(C)S(=O)(=O)[C@@H]1C
InChIInChI=1S/C11H23NO2S/c1-7(2)10-9(5)15(13,14)12(6)11(10)8(3)4/h7-11H,1-6H3/t9-,10-,11-/m1/s1
InChIKeyBNYVTYRDOKQZIS-GMTAPVOTSA-N
XLogP1.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2,5-dimethyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of (3R,4S,5R)-2,5-dimethyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide (CID 59706753) is (3R,4S,5R)-2,5-dimethyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for (3R,4S,5R)-2,5-dimethyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for (3R,4S,5R)-2,5-dimethyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide is CC(C)[C@H]1[C@@H](C(C)C)N(C)S(=O)(=O)[C@@H]1C.
What is the InChIKey of (3R,4S,5R)-2,5-dimethyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is BNYVTYRDOKQZIS-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-7(2)10-9(5)15(13,14)12(6)11(10)8(3)4/h7-11H,1-6H3/t9-,10-,11-/m1/s1.
What are the key properties of (3R,4S,5R)-2,5-dimethyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
(3R,4S,5R)-2,5-dimethyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 233.38 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2,5-dimethyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 59706753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).