N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropane-1-sulfonamide

C15H22N2O5S — CID 71693261

IUPACN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N[C@@H]2CO)cc1
InChIInChI=1S/C15H22N2O5S/c1-10(2)9-23(20,21)17-12-5-3-11(4-6-12)15-13(7-18)16-14(19)8-22-15/h3-6,10,13,15,17-18H,7-9H2,1-2H3,(H,16,19)/t13-,15-/m1/s1
InChIKeyVLZNJBXYEMPWRR-UKRRQHHQSA-N
MW342.42 g/mol
LogP0.63
Rot. Bonds6

About N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropane-1-sulfonamide

N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropane-1-sulfonamide (PubChem CID 71693261) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropane-1-sulfonamide
PubChem CID71693261
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N[C@@H]2CO)cc1
InChIInChI=1S/C15H22N2O5S/c1-10(2)9-23(20,21)17-12-5-3-11(4-6-12)15-13(7-18)16-14(19)8-22-15/h3-6,10,13,15,17-18H,7-9H2,1-2H3,(H,16,19)/t13-,15-/m1/s1
InChIKeyVLZNJBXYEMPWRR-UKRRQHHQSA-N
XLogP0.63
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropane-1-sulfonamide (CID 71693261) is N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropane-1-sulfonamide is CC(C)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]-2-methylpropane-1-sulfonamide?
The InChIKey is VLZNJBXYEMPWRR-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-10(2)9-23(20,21)17-12-5-3-11(4-6-12)15-13(7-18)16-14(19)8-22-15/h3-6,10,13,15,17-18H,7-9H2,1-2H3,(H,16,19)/t13-,15-/m1/s1.
What are the key properties of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropane-1-sulfonamide?
N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropane-1-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 0.63, 6 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]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 71693261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).