N-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide

C12H19N3O3S — CID 43606105

IUPACN-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H19N3O3S/c1-13-10-11-4-2-3-5-12(11)14-19(16,17)15-6-8-18-9-7-15/h2-5,13-14H,6-10H2,1H3
InChIKeyLTIRFYCBIQBMFT-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.39
Rot. Bonds5

About N-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide

N-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide (PubChem CID 43606105) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide
PubChem CID43606105
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H19N3O3S/c1-13-10-11-4-2-3-5-12(11)14-19(16,17)15-6-8-18-9-7-15/h2-5,13-14H,6-10H2,1H3
InChIKeyLTIRFYCBIQBMFT-UHFFFAOYSA-N
XLogP0.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide?
The IUPAC name of N-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide (CID 43606105) is N-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide is CNCc1ccccc1NS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide?
The InChIKey is LTIRFYCBIQBMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-13-10-11-4-2-3-5-12(11)14-19(16,17)15-6-8-18-9-7-15/h2-5,13-14H,6-10H2,1H3.
What are the key properties of N-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide?
N-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide is sourced from PubChem (CID 43606105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).