4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide

C14H22N2O4S — CID 102935175

IUPAC4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCC1CN(c2ccc(S(=O)(=O)N(C)C)cc2)CC(CO)O1
InChIInChI=1S/C14H22N2O4S/c1-11-8-16(9-13(10-17)20-11)12-4-6-14(7-5-12)21(18,19)15(2)3/h4-7,11,13,17H,8-10H2,1-3H3
InChIKeyAIPYEGKICLTCDQ-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.52
Rot. Bonds4

About 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide

4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 102935175) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID102935175
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCC1CN(c2ccc(S(=O)(=O)N(C)C)cc2)CC(CO)O1
InChIInChI=1S/C14H22N2O4S/c1-11-8-16(9-13(10-17)20-11)12-4-6-14(7-5-12)21(18,19)15(2)3/h4-7,11,13,17H,8-10H2,1-3H3
InChIKeyAIPYEGKICLTCDQ-UHFFFAOYSA-N
XLogP0.52
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 102935310
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 102935173
[6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol
CID 102935166
1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone
CID 102933196
2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine
CID 102937216
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 102933160
[6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol
CID 102935281
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 102938730
[4-(2-amino-4-methylsulfonylphenyl)-6-methylmorpholin-2-yl]methanol
CID 102931892
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
CID 93023320
[4-(2,6-dimethylmorpholin-4-yl)phenyl]methanol
CID 43121035
[6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol
CID 102935217

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide (CID 102935175) is 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide is CC1CN(c2ccc(S(=O)(=O)N(C)C)cc2)CC(CO)O1.
What is the InChIKey of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is AIPYEGKICLTCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-11-8-16(9-13(10-17)20-11)12-4-6-14(7-5-12)21(18,19)15(2)3/h4-7,11,13,17H,8-10H2,1-3H3.
What are the key properties of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide?
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 102935175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).