[4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

C13H20N2O5S — CID 102931832

IUPAC[4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCOc1cc(N)ccc1S(=O)(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C13H20N2O5S/c1-9-6-15(7-11(8-16)20-9)21(17,18)13-4-3-10(14)5-12(13)19-2/h3-5,9,11,16H,6-8,14H2,1-2H3
InChIKeyBSHODEKRUMJPBB-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.05
Rot. Bonds4

About [4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

[4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (PubChem CID 102931832) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is [4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
PubChem CID102931832
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name[4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCOc1cc(N)ccc1S(=O)(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C13H20N2O5S/c1-9-6-15(7-11(8-16)20-9)21(17,18)13-4-3-10(14)5-12(13)19-2/h3-5,9,11,16H,6-8,14H2,1-2H3
InChIKeyBSHODEKRUMJPBB-UHFFFAOYSA-N
XLogP0.05
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-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

[4-(4-amino-2-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931874
[4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934895
[4-(2-amino-4,5-dimethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931863
[4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931873
[4-(2-amino-5-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931866
4-(2,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 19682685
(4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931441
[4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931885
[4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102933332
[4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931883
4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-3-methoxyaniline
CID 63604874
3-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonylbenzonitrile
CID 102932852

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (CID 102931832) is [4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is COc1cc(N)ccc1S(=O)(=O)N1CC(C)OC(CO)C1.
What is the InChIKey of [4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The InChIKey is BSHODEKRUMJPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-9-6-15(7-11(8-16)20-9)21(17,18)13-4-3-10(14)5-12(13)19-2/h3-5,9,11,16H,6-8,14H2,1-2H3.
What are the key properties of [4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
[4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol has a molecular weight of 316.38 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102931832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).