N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide

C12H19N3O3S — CID 62104142

IUPACN-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide
SMILESCc1ccc(CN)cc1NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H19N3O3S/c1-10-2-3-11(9-13)8-12(10)14-19(16,17)15-4-6-18-7-5-15/h2-3,8,14H,4-7,9,13H2,1H3
InChIKeyXABCIXUAHRCUNF-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.44
Rot. Bonds4

About N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide

N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide (PubChem CID 62104142) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide
PubChem CID62104142
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide
SMILESCc1ccc(CN)cc1NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H19N3O3S/c1-10-2-3-11(9-13)8-12(10)14-19(16,17)15-4-6-18-7-5-15/h2-3,8,14H,4-7,9,13H2,1H3
InChIKeyXABCIXUAHRCUNF-UHFFFAOYSA-N
XLogP0.44
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide
CID 54880810
N-(4-chloro-2-methylphenyl)morpholine-4-sulfonamide
CID 110706024
N-(3-amino-2,6-dimethylphenyl)morpholine-4-sulfonamide
CID 28783497
N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide
CID 62103601
N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide
CID 104847754
N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide
CID 43436716
N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide
CID 60813412
N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide
CID 43806682
N-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide
CID 43606105
N-(3-methylphenyl)morpholine-4-sulfonamide
CID 110706005
N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 28783386
N-(2-fluorophenyl)morpholine-4-sulfonamide
CID 110706019

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide?
The IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide (CID 62104142) is N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide is Cc1ccc(CN)cc1NS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide?
The InChIKey is XABCIXUAHRCUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-10-2-3-11(9-13)8-12(10)14-19(16,17)15-4-6-18-7-5-15/h2-3,8,14H,4-7,9,13H2,1H3.
What are the key properties of N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide?
N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide is sourced from PubChem (CID 62104142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).