methyl 5-[methyl(2-morpholin-4-ylethyl)sulfamoyl]pyridine-3-carboxylate

C14H21N3O5S — CID 118054973

IUPACmethyl 5-[methyl(2-morpholin-4-ylethyl)sulfamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(S(=O)(=O)N(C)CCN2CCOCC2)c1
InChIInChI=1S/C14H21N3O5S/c1-16(3-4-17-5-7-22-8-6-17)23(19,20)13-9-12(10-15-11-13)14(18)21-2/h9-11H,3-8H2,1-2H3
InChIKeyDIIICFKJLLNFLO-UHFFFAOYSA-N
MW343.41 g/mol
LogP-0.18
Rot. Bonds6

About methyl 5-[methyl(2-morpholin-4-ylethyl)sulfamoyl]pyridine-3-carboxylate

methyl 5-[methyl(2-morpholin-4-ylethyl)sulfamoyl]pyridine-3-carboxylate (PubChem CID 118054973) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is methyl 5-[methyl(2-morpholin-4-ylethyl)sulfamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[methyl(2-morpholin-4-ylethyl)sulfamoyl]pyridine-3-carboxylate
PubChem CID118054973
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC Namemethyl 5-[methyl(2-morpholin-4-ylethyl)sulfamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(S(=O)(=O)N(C)CCN2CCOCC2)c1
InChIInChI=1S/C14H21N3O5S/c1-16(3-4-17-5-7-22-8-6-17)23(19,20)13-9-12(10-15-11-13)14(18)21-2/h9-11H,3-8H2,1-2H3
InChIKeyDIIICFKJLLNFLO-UHFFFAOYSA-N
XLogP-0.18
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 63209240
methyl 4-[2-morpholin-4-ylethyl(oxan-4-yl)sulfamoyl]benzoate
CID 90607533
methyl 5-[(2-fluorophenyl)methyl-methylsulfamoyl]pyridine-3-carboxylate
CID 99801225
methyl 5-methylsulfonylpyridine-3-carboxylate
CID 23436925
methyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate
CID 31767085
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
methyl 3-[(1,1-dioxothiolan-3-yl)-(3-morpholin-4-ylpropyl)sulfamoyl]benzoate
CID 55516389
5-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 46345791
N-methyl-N-(3-morpholin-4-ylpropyl)-4-pyrimidin-5-ylbenzenesulfonamide
CID 171909999
2-[[3,5-bis(methoxycarbonyl)phenyl]sulfonyl-methylamino]ethanesulfonic acid
CID 21429819
N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229586
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43002495

Frequently Asked Questions

What is the IUPAC name of methyl 5-[methyl(2-morpholin-4-ylethyl)sulfamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[methyl(2-morpholin-4-ylethyl)sulfamoyl]pyridine-3-carboxylate (CID 118054973) is methyl 5-[methyl(2-morpholin-4-ylethyl)sulfamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[methyl(2-morpholin-4-ylethyl)sulfamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[methyl(2-morpholin-4-ylethyl)sulfamoyl]pyridine-3-carboxylate is COC(=O)c1cncc(S(=O)(=O)N(C)CCN2CCOCC2)c1.
What is the InChIKey of methyl 5-[methyl(2-morpholin-4-ylethyl)sulfamoyl]pyridine-3-carboxylate?
The InChIKey is DIIICFKJLLNFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-16(3-4-17-5-7-22-8-6-17)23(19,20)13-9-12(10-15-11-13)14(18)21-2/h9-11H,3-8H2,1-2H3.
What are the key properties of methyl 5-[methyl(2-morpholin-4-ylethyl)sulfamoyl]pyridine-3-carboxylate?
methyl 5-[methyl(2-morpholin-4-ylethyl)sulfamoyl]pyridine-3-carboxylate has a molecular weight of 343.41 g/mol, XLogP of -0.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[methyl(2-morpholin-4-ylethyl)sulfamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 118054973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).