N,N-dimethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide

C14H21N3O5S — CID 42928870

IUPACN,N-dimethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide
SMILESCC1CN(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)CCO1
InChIInChI=1S/C14H21N3O5S/c1-11-8-16(6-7-22-11)14(19)10-17-9-12(4-5-13(17)18)23(20,21)15(2)3/h4-5,9,11H,6-8,10H2,1-3H3
InChIKeyJELRTGLJFFBWLY-UHFFFAOYSA-N
MW343.41 g/mol
LogP-0.65
Rot. Bonds4

About N,N-dimethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide

N,N-dimethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide (PubChem CID 42928870) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide
PubChem CID42928870
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC NameN,N-dimethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide
SMILESCC1CN(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)CCO1
InChIInChI=1S/C14H21N3O5S/c1-11-8-16(6-7-22-11)14(19)10-17-9-12(4-5-13(17)18)23(20,21)15(2)3/h4-5,9,11H,6-8,10H2,1-3H3
InChIKeyJELRTGLJFFBWLY-UHFFFAOYSA-N
XLogP-0.65
TPSA88.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide (CID 42928870) is N,N-dimethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide is CC1CN(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)CCO1.
What is the InChIKey of N,N-dimethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide?
The InChIKey is JELRTGLJFFBWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-11-8-16(6-7-22-11)14(19)10-17-9-12(4-5-13(17)18)23(20,21)15(2)3/h4-5,9,11H,6-8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide?
N,N-dimethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide has a molecular weight of 343.41 g/mol, XLogP of -0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 42928870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).