[4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

C12H18N2O4S — CID 102931873

IUPAC[4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)c2cccc(N)c2)CC(CO)O1
InChIInChI=1S/C12H18N2O4S/c1-9-6-14(7-11(8-15)18-9)19(16,17)12-4-2-3-10(13)5-12/h2-5,9,11,15H,6-8,13H2,1H3
InChIKeySODROMNMQVZAIP-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.04
Rot. Bonds3

About [4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

[4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (PubChem CID 102931873) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is [4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
PubChem CID102931873
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name[4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)c2cccc(N)c2)CC(CO)O1
InChIInChI=1S/C12H18N2O4S/c1-9-6-14(7-11(8-15)18-9)19(16,17)12-4-2-3-10(13)5-12/h2-5,9,11,15H,6-8,13H2,1H3
InChIKeySODROMNMQVZAIP-UHFFFAOYSA-N
XLogP0.04
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 102932309
[4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931885
[4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931883
[4-(4-amino-2-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931874
[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934850
[4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931832
[4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934845
[4-(2-amino-4,5-dimethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931863
2-(bromomethyl)-6-methyl-4-(3-methylphenyl)sulfonylmorpholine
CID 102938149
2-benzyl-6-methyl-4-(3-methylphenyl)sulfonylmorpholine
CID 110644224
[4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol
CID 18540374
[4-(2-amino-5-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931866

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (CID 102931873) is [4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is CC1CN(S(=O)(=O)c2cccc(N)c2)CC(CO)O1.
What is the InChIKey of [4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The InChIKey is SODROMNMQVZAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9-6-14(7-11(8-15)18-9)19(16,17)12-4-2-3-10(13)5-12/h2-5,9,11,15H,6-8,13H2,1H3.
What are the key properties of [4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
[4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol has a molecular weight of 286.35 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102931873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).