(4S)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide

C6H13NO3S — CID 24805754

IUPAC(4S)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide
SMILESCC(C)[C@H]1COS(=O)(=O)N1C
InChIInChI=1S/C6H13NO3S/c1-5(2)6-4-10-11(8,9)7(6)3/h5-6H,4H2,1-3H3/t6-/m1/s1
InChIKeyWCRYIFGVMAVGPD-ZCFIWIBFSA-N
MW179.24 g/mol
LogP0.22
Rot. Bonds1

About (4S)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide

(4S)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide (PubChem CID 24805754) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is (4S)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name(4S)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide
PubChem CID24805754
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name(4S)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide
SMILESCC(C)[C@H]1COS(=O)(=O)N1C
InChIInChI=1S/C6H13NO3S/c1-5(2)6-4-10-11(8,9)7(6)3/h5-6H,4H2,1-3H3/t6-/m1/s1
InChIKeyWCRYIFGVMAVGPD-ZCFIWIBFSA-N
XLogP0.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
The IUPAC name of (4S)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide (CID 24805754) is (4S)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide.
What is the SMILES notation for (4S)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
The canonical SMILES for (4S)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide is CC(C)[C@H]1COS(=O)(=O)N1C.
What is the InChIKey of (4S)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
The InChIKey is WCRYIFGVMAVGPD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-5(2)6-4-10-11(8,9)7(6)3/h5-6H,4H2,1-3H3/t6-/m1/s1.
What are the key properties of (4S)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
(4S)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide has a molecular weight of 179.24 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-4-propan-2-yloxathiazolidine 2,2-dioxide is sourced from PubChem (CID 24805754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).