5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide

C12H19N3O4S — CID 102931949

IUPAC5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide
SMILESCC1CN(c2ccc(N)cc2S(N)(=O)=O)CC(CO)O1
InChIInChI=1S/C12H19N3O4S/c1-8-5-15(6-10(7-16)19-8)11-3-2-9(13)4-12(11)20(14,17)18/h2-4,8,10,16H,5-7,13H2,1H3,(H2,14,17,18)
InChIKeyNHEYJTLOFXPFDA-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.50
Rot. Bonds3

About 5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide

5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide (PubChem CID 102931949) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide
PubChem CID102931949
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide
SMILESCC1CN(c2ccc(N)cc2S(N)(=O)=O)CC(CO)O1
InChIInChI=1S/C12H19N3O4S/c1-8-5-15(6-10(7-16)19-8)11-3-2-9(13)4-12(11)20(14,17)18/h2-4,8,10,16H,5-7,13H2,1H3,(H2,14,17,18)
InChIKeyNHEYJTLOFXPFDA-UHFFFAOYSA-N
XLogP-0.50
TPSA118.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol
CID 102931892
[6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol
CID 102935217
5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 103287518
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 102935173
[4-(4-amino-2-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931874
[4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol
CID 102931988
2-(2,6-dimethylmorpholin-4-yl)-5-nitrobenzenesulfonamide
CID 78782987
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid
CID 102933176
[4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931832
[4-(2-amino-3-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102932034
[4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931873
[4-[4-(hydroxymethyl)-2-nitrophenyl]-6-methylmorpholin-2-yl]methanol
CID 102933448

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide?
The IUPAC name of 5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide (CID 102931949) is 5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide is CC1CN(c2ccc(N)cc2S(N)(=O)=O)CC(CO)O1.
What is the InChIKey of 5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide?
The InChIKey is NHEYJTLOFXPFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8-5-15(6-10(7-16)19-8)11-3-2-9(13)4-12(11)20(14,17)18/h2-4,8,10,16H,5-7,13H2,1H3,(H2,14,17,18).
What are the key properties of 5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide?
5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenesulfonamide is sourced from PubChem (CID 102931949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).