[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl N-(4-methylphenyl)sulfonylcarbamate

C20H25N2O5S+ — CID 7195255

IUPAC[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl N-(4-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(S(=O)(=O)NC(=O)OC[C@H]2C[NH+](Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C20H24N2O5S/c1-16-7-9-19(10-8-16)28(24,25)21-20(23)27-15-18-14-22(11-12-26-18)13-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3,(H,21,23)/p+1/t18-/m1/s1
InChIKeyOWIADZOKVAYOGG-GOSISDBHSA-O
MW405.50 g/mol
LogP0.89
Rot. Bonds6

About [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl N-(4-methylphenyl)sulfonylcarbamate

[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl N-(4-methylphenyl)sulfonylcarbamate (PubChem CID 7195255) has the molecular formula C20H25N2O5S+ and a molecular weight of 405.50 g/mol. Its IUPAC name is [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl N-(4-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Name[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl N-(4-methylphenyl)sulfonylcarbamate
PubChem CID7195255
Molecular FormulaC20H25N2O5S+
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl N-(4-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(S(=O)(=O)NC(=O)OC[C@H]2C[NH+](Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C20H24N2O5S/c1-16-7-9-19(10-8-16)28(24,25)21-20(23)27-15-18-14-22(11-12-26-18)13-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3,(H,21,23)/p+1/t18-/m1/s1
InChIKeyOWIADZOKVAYOGG-GOSISDBHSA-O
XLogP0.89
TPSA86.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl N-(4-methylphenyl)sulfonylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

[(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
CID 102353447
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
benzyl N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]carbamate
CID 50906329
2-cyanoethyl N-(4-methylphenyl)sulfonylcarbamate
CID 101122672
5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate
CID 102001467
benzyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 122231425
sulfamoyl N-(4-methylphenyl)sulfonylcarbamate
CID 10017321
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
2-benzyl-N-(4-methylphenyl)sulfonylbenzamide
CID 132940994
1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride
CID 18532110
[(2R,3R)-4,4-difluoro-2-[(4-methylphenyl)sulfonylcarbamoyloxymethyl]-5-oxooxolan-3-yl] (E)-3-phenylprop-2-enoate
CID 25179246
[(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate
CID 7102005

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl N-(4-methylphenyl)sulfonylcarbamate?
The IUPAC name of [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl N-(4-methylphenyl)sulfonylcarbamate (CID 7195255) is [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl N-(4-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl N-(4-methylphenyl)sulfonylcarbamate?
The canonical SMILES for [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl N-(4-methylphenyl)sulfonylcarbamate is Cc1ccc(S(=O)(=O)NC(=O)OC[C@H]2C[NH+](Cc3ccccc3)CCO2)cc1.
What is the InChIKey of [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl N-(4-methylphenyl)sulfonylcarbamate?
The InChIKey is OWIADZOKVAYOGG-GOSISDBHSA-O. The full InChI is InChI=1S/C20H24N2O5S/c1-16-7-9-19(10-8-16)28(24,25)21-20(23)27-15-18-14-22(11-12-26-18)13-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3,(H,21,23)/p+1/t18-/m1/s1.
What are the key properties of [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl N-(4-methylphenyl)sulfonylcarbamate?
[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl N-(4-methylphenyl)sulfonylcarbamate has a molecular weight of 405.50 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-benzylmorpholin-4-ium-2-yl]methyl N-(4-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 7195255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).