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

C12H19N3O4S — CID 81205568

IUPAC2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenesulfonamide
SMILESCC1COC(CO)CN1c1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C12H19N3O4S/c1-8-7-19-10(6-16)5-15(8)9-2-3-12(11(13)4-9)20(14,17)18/h2-4,8,10,16H,5-7,13H2,1H3,(H2,14,17,18)
InChIKeyANSJICZHJUUKGA-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.50
Rot. Bonds3

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

2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenesulfonamide (PubChem CID 81205568) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenesulfonamide
PubChem CID81205568
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenesulfonamide
SMILESCC1COC(CO)CN1c1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C12H19N3O4S/c1-8-7-19-10(6-16)5-15(8)9-2-3-12(11(13)4-9)20(14,17)18/h2-4,8,10,16H,5-7,13H2,1H3,(H2,14,17,18)
InChIKeyANSJICZHJUUKGA-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzoic acid
CID 104500812
[4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol
CID 81206068
4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 81218807
2-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 81204035
4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 81202788
[4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81195535
[4-(2-chloro-4-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 102824323
2-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzonitrile
CID 81203842
[4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81205329
2-chloro-N'-hydroxy-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide
CID 81203511
1-[5-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-nitrophenyl]ethanone
CID 104613687
methyl 3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzoate
CID 81219672

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenesulfonamide?
The IUPAC name of 2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenesulfonamide (CID 81205568) is 2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenesulfonamide is CC1COC(CO)CN1c1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenesulfonamide?
The InChIKey is ANSJICZHJUUKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8-7-19-10(6-16)5-15(8)9-2-3-12(11(13)4-9)20(14,17)18/h2-4,8,10,16H,5-7,13H2,1H3,(H2,14,17,18).
What are the key properties of 2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenesulfonamide?
2-amino-4-[2-(hydroxymethyl)-5-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 2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenesulfonamide is sourced from PubChem (CID 81205568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).