N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide

C12H16N2O5S — CID 71693245

IUPACN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N[C@@H]2CO)cc1
InChIInChI=1S/C12H16N2O5S/c1-20(17,18)14-9-4-2-8(3-5-9)12-10(6-15)13-11(16)7-19-12/h2-5,10,12,14-15H,6-7H2,1H3,(H,13,16)/t10-,12-/m1/s1
InChIKeyLVNQPEPZKQQBNG-ZYHUDNBSSA-N
MW300.34 g/mol
LogP-0.39
Rot. Bonds4

About N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide

N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide (PubChem CID 71693245) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide
PubChem CID71693245
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC NameN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N[C@@H]2CO)cc1
InChIInChI=1S/C12H16N2O5S/c1-20(17,18)14-9-4-2-8(3-5-9)12-10(6-15)13-11(16)7-19-12/h2-5,10,12,14-15H,6-7H2,1H3,(H,13,16)/t10-,12-/m1/s1
InChIKeyLVNQPEPZKQQBNG-ZYHUDNBSSA-N
XLogP-0.39
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide 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 N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide (CID 71693245) is N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N[C@@H]2CO)cc1.
What is the InChIKey of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide?
The InChIKey is LVNQPEPZKQQBNG-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-20(17,18)14-9-4-2-8(3-5-9)12-10(6-15)13-11(16)7-19-12/h2-5,10,12,14-15H,6-7H2,1H3,(H,13,16)/t10-,12-/m1/s1.
What are the key properties of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide?
N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide has a molecular weight of 300.34 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 71693245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).