1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide

C14H23N3O3S — CID 79079333

IUPAC1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide
SMILESCN1CCOC(CNS(=O)(=O)Cc2ccccc2CN)C1
InChIInChI=1S/C14H23N3O3S/c1-17-6-7-20-14(10-17)9-16-21(18,19)11-13-5-3-2-4-12(13)8-15/h2-5,14,16H,6-11,15H2,1H3
InChIKeyWPHZIDAGZWEFGK-UHFFFAOYSA-N
MW313.42 g/mol
LogP-0.10
Rot. Bonds6

About 1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide

1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide (PubChem CID 79079333) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide
PubChem CID79079333
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide
SMILESCN1CCOC(CNS(=O)(=O)Cc2ccccc2CN)C1
InChIInChI=1S/C14H23N3O3S/c1-17-6-7-20-14(10-17)9-16-21(18,19)11-13-5-3-2-4-12(13)8-15/h2-5,14,16H,6-11,15H2,1H3
InChIKeyWPHZIDAGZWEFGK-UHFFFAOYSA-N
XLogP-0.10
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110710274
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide
CID 110710282
2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 81245074
2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79078860
1-[2-(aminomethyl)phenyl]-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 106024265
4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 106997035
N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
CID 110710241
[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166937
3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083047
3-[(4-methylmorpholin-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 79083016
3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79079568
N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79749259

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide (CID 79079333) is 1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide is CN1CCOC(CNS(=O)(=O)Cc2ccccc2CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide?
The InChIKey is WPHZIDAGZWEFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-17-6-7-20-14(10-17)9-16-21(18,19)11-13-5-3-2-4-12(13)8-15/h2-5,14,16H,6-11,15H2,1H3.
What are the key properties of 1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide?
1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide has a molecular weight of 313.42 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 79079333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).