[4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol

C12H17NO5S — CID 18540374

IUPAC[4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol
SMILESO=S(=O)(c1ccccc1)N1CC(CO)OC(CO)C1
InChIInChI=1S/C12H17NO5S/c14-8-10-6-13(7-11(9-15)18-10)19(16,17)12-4-2-1-3-5-12/h1-5,10-11,14-15H,6-9H2
InChIKeyKXPZAIZTRSPNBA-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.57
Rot. Bonds4

About [4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol

[4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol (PubChem CID 18540374) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is [4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol
PubChem CID18540374
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name[4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol
SMILESO=S(=O)(c1ccccc1)N1CC(CO)OC(CO)C1
InChIInChI=1S/C12H17NO5S/c14-8-10-6-13(7-11(9-15)18-10)19(16,17)12-4-2-1-3-5-12/h1-5,10-11,14-15H,6-9H2
InChIKeyKXPZAIZTRSPNBA-UHFFFAOYSA-N
XLogP-0.57
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol 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

3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 102932309
[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934850
[4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931873
3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane
CID 77427931
1-(benzenesulfonyl)-3-fluoroazetidine
CID 141433694
[(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 72886667
(2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine
CID 25279605
[4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934895
2-benzyl-4-(4-ethylphenyl)sulfonyl-6-methylmorpholine
CID 110644206
[4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934845
2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine
CID 110644203
[4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102933332

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol?
The IUPAC name of [4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol (CID 18540374) is [4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol?
The canonical SMILES for [4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol is O=S(=O)(c1ccccc1)N1CC(CO)OC(CO)C1.
What is the InChIKey of [4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol?
The InChIKey is KXPZAIZTRSPNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c14-8-10-6-13(7-11(9-15)18-10)19(16,17)12-4-2-1-3-5-12/h1-5,10-11,14-15H,6-9H2.
What are the key properties of [4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol?
[4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol has a molecular weight of 287.34 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol is sourced from PubChem (CID 18540374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).