(4S)-3-benzyl-4-propyloxathiazolidine 2,2-dioxide

C12H17NO3S — CID 71496893

IUPAC(4S)-3-benzyl-4-propyloxathiazolidine 2,2-dioxide
SMILESCCC[C@H]1COS(=O)(=O)N1Cc1ccccc1
InChIInChI=1S/C12H17NO3S/c1-2-6-12-10-16-17(14,15)13(12)9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3/t12-/m0/s1
InChIKeyFKKYPWPZNPQBSC-LBPRGKRZSA-N
MW255.34 g/mol
LogP1.93
Rot. Bonds4

About (4S)-3-benzyl-4-propyloxathiazolidine 2,2-dioxide

(4S)-3-benzyl-4-propyloxathiazolidine 2,2-dioxide (PubChem CID 71496893) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is (4S)-3-benzyl-4-propyloxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name(4S)-3-benzyl-4-propyloxathiazolidine 2,2-dioxide
PubChem CID71496893
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name(4S)-3-benzyl-4-propyloxathiazolidine 2,2-dioxide
SMILESCCC[C@H]1COS(=O)(=O)N1Cc1ccccc1
InChIInChI=1S/C12H17NO3S/c1-2-6-12-10-16-17(14,15)13(12)9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3/t12-/m0/s1
InChIKeyFKKYPWPZNPQBSC-LBPRGKRZSA-N
XLogP1.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-benzyl-4-propyloxathiazolidine 2,2-dioxide?
The IUPAC name of (4S)-3-benzyl-4-propyloxathiazolidine 2,2-dioxide (CID 71496893) is (4S)-3-benzyl-4-propyloxathiazolidine 2,2-dioxide.
What is the SMILES notation for (4S)-3-benzyl-4-propyloxathiazolidine 2,2-dioxide?
The canonical SMILES for (4S)-3-benzyl-4-propyloxathiazolidine 2,2-dioxide is CCC[C@H]1COS(=O)(=O)N1Cc1ccccc1.
What is the InChIKey of (4S)-3-benzyl-4-propyloxathiazolidine 2,2-dioxide?
The InChIKey is FKKYPWPZNPQBSC-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-2-6-12-10-16-17(14,15)13(12)9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3/t12-/m0/s1.
What are the key properties of (4S)-3-benzyl-4-propyloxathiazolidine 2,2-dioxide?
(4S)-3-benzyl-4-propyloxathiazolidine 2,2-dioxide has a molecular weight of 255.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-benzyl-4-propyloxathiazolidine 2,2-dioxide is sourced from PubChem (CID 71496893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).