(3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide

C6H13NO2S — CID 86676751

IUPAC(3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)[C@@H]1CCS(=O)(=O)N1
InChIInChI=1S/C6H13NO2S/c1-5(2)6-3-4-10(8,9)7-6/h5-7H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyLEDKUNONONIAQM-LURJTMIESA-N
MW163.24 g/mol
LogP0.33
Rot. Bonds1

About (3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide

(3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide (PubChem CID 86676751) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide
PubChem CID86676751
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)[C@@H]1CCS(=O)(=O)N1
InChIInChI=1S/C6H13NO2S/c1-5(2)6-3-4-10(8,9)7-6/h5-7H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyLEDKUNONONIAQM-LURJTMIESA-N
XLogP0.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of (3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide (CID 86676751) is (3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for (3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for (3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide is CC(C)[C@@H]1CCS(=O)(=O)N1.
What is the InChIKey of (3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is LEDKUNONONIAQM-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO2S/c1-5(2)6-3-4-10(8,9)7-6/h5-7H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide?
(3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 163.24 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 86676751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).