(2S,4R)-3-(benzenesulfonyl)-4-benzyl-2-(piperidin-4-ylmethyl)-1,3-oxazolidine

C22H28N2O3S — CID 10883894

IUPAC(2S,4R)-3-(benzenesulfonyl)-4-benzyl-2-(piperidin-4-ylmethyl)-1,3-oxazolidine
SMILESO=S(=O)(c1ccccc1)N1[C@H](Cc2ccccc2)CO[C@H]1CC1CCNCC1
InChIInChI=1S/C22H28N2O3S/c25-28(26,21-9-5-2-6-10-21)24-20(15-18-7-3-1-4-8-18)17-27-22(24)16-19-11-13-23-14-12-19/h1-10,19-20,22-23H,11-17H2/t20-,22+/m1/s1
InChIKeyKSDILXOKSSGRBI-IRLDBZIGSA-N
MW400.54 g/mol
LogP3.03
Rot. Bonds6

About (2S,4R)-3-(benzenesulfonyl)-4-benzyl-2-(piperidin-4-ylmethyl)-1,3-oxazolidine

(2S,4R)-3-(benzenesulfonyl)-4-benzyl-2-(piperidin-4-ylmethyl)-1,3-oxazolidine (PubChem CID 10883894) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is (2S,4R)-3-(benzenesulfonyl)-4-benzyl-2-(piperidin-4-ylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4R)-3-(benzenesulfonyl)-4-benzyl-2-(piperidin-4-ylmethyl)-1,3-oxazolidine
PubChem CID10883894
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name(2S,4R)-3-(benzenesulfonyl)-4-benzyl-2-(piperidin-4-ylmethyl)-1,3-oxazolidine
SMILESO=S(=O)(c1ccccc1)N1[C@H](Cc2ccccc2)CO[C@H]1CC1CCNCC1
InChIInChI=1S/C22H28N2O3S/c25-28(26,21-9-5-2-6-10-21)24-20(15-18-7-3-1-4-8-18)17-27-22(24)16-19-11-13-23-14-12-19/h1-10,19-20,22-23H,11-17H2/t20-,22+/m1/s1
InChIKeyKSDILXOKSSGRBI-IRLDBZIGSA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-3-(benzenesulfonyl)-4-benzyl-2-(piperidin-4-ylmethyl)-1,3-oxazolidine 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 (2S,4R)-3-(benzenesulfonyl)-4-benzyl-2-(piperidin-4-ylmethyl)-1,3-oxazolidine?
The IUPAC name of (2S,4R)-3-(benzenesulfonyl)-4-benzyl-2-(piperidin-4-ylmethyl)-1,3-oxazolidine (CID 10883894) is (2S,4R)-3-(benzenesulfonyl)-4-benzyl-2-(piperidin-4-ylmethyl)-1,3-oxazolidine.
What is the SMILES notation for (2S,4R)-3-(benzenesulfonyl)-4-benzyl-2-(piperidin-4-ylmethyl)-1,3-oxazolidine?
The canonical SMILES for (2S,4R)-3-(benzenesulfonyl)-4-benzyl-2-(piperidin-4-ylmethyl)-1,3-oxazolidine is O=S(=O)(c1ccccc1)N1[C@H](Cc2ccccc2)CO[C@H]1CC1CCNCC1.
What is the InChIKey of (2S,4R)-3-(benzenesulfonyl)-4-benzyl-2-(piperidin-4-ylmethyl)-1,3-oxazolidine?
The InChIKey is KSDILXOKSSGRBI-IRLDBZIGSA-N. The full InChI is InChI=1S/C22H28N2O3S/c25-28(26,21-9-5-2-6-10-21)24-20(15-18-7-3-1-4-8-18)17-27-22(24)16-19-11-13-23-14-12-19/h1-10,19-20,22-23H,11-17H2/t20-,22+/m1/s1.
What are the key properties of (2S,4R)-3-(benzenesulfonyl)-4-benzyl-2-(piperidin-4-ylmethyl)-1,3-oxazolidine?
(2S,4R)-3-(benzenesulfonyl)-4-benzyl-2-(piperidin-4-ylmethyl)-1,3-oxazolidine has a molecular weight of 400.54 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-3-(benzenesulfonyl)-4-benzyl-2-(piperidin-4-ylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 10883894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).