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

C10H21NO2S — CID 59706645

IUPAC(3R,4R,5R)-3-methyl-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)[C@H]1[C@@H](C(C)C)S(=O)(=O)N[C@@H]1C
InChIInChI=1S/C10H21NO2S/c1-6(2)9-8(5)11-14(12,13)10(9)7(3)4/h6-11H,1-5H3/t8-,9-,10-/m1/s1
InChIKeyPWKRYCZAFOJVSY-OPRDCNLKSA-N
MW219.35 g/mol
LogP1.60
Rot. Bonds2

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

(3R,4R,5R)-3-methyl-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 59706645) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is (3R,4R,5R)-3-methyl-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name(3R,4R,5R)-3-methyl-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID59706645
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name(3R,4R,5R)-3-methyl-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)[C@H]1[C@@H](C(C)C)S(=O)(=O)N[C@@H]1C
InChIInChI=1S/C10H21NO2S/c1-6(2)9-8(5)11-14(12,13)10(9)7(3)4/h6-11H,1-5H3/t8-,9-,10-/m1/s1
InChIKeyPWKRYCZAFOJVSY-OPRDCNLKSA-N
XLogP1.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-3-methyl-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of (3R,4R,5R)-3-methyl-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide (CID 59706645) is (3R,4R,5R)-3-methyl-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for (3R,4R,5R)-3-methyl-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for (3R,4R,5R)-3-methyl-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide is CC(C)[C@H]1[C@@H](C(C)C)S(=O)(=O)N[C@@H]1C.
What is the InChIKey of (3R,4R,5R)-3-methyl-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is PWKRYCZAFOJVSY-OPRDCNLKSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-6(2)9-8(5)11-14(12,13)10(9)7(3)4/h6-11H,1-5H3/t8-,9-,10-/m1/s1.
What are the key properties of (3R,4R,5R)-3-methyl-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
(3R,4R,5R)-3-methyl-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 219.35 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-3-methyl-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 59706645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).