N,N-dimethyl-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-sulfonamide

C13H21N3O4S — CID 35813064

IUPACN,N-dimethyl-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CCN2CCOCC2)c1
InChIInChI=1S/C13H21N3O4S/c1-14(2)21(18,19)12-3-4-13(17)16(11-12)6-5-15-7-9-20-10-8-15/h3-4,11H,5-10H2,1-2H3
InChIKeyKJBLXKBSJSCOHM-UHFFFAOYSA-N
MW315.39 g/mol
LogP-0.57
Rot. Bonds5

About N,N-dimethyl-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-sulfonamide

N,N-dimethyl-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-sulfonamide (PubChem CID 35813064) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-sulfonamide
PubChem CID35813064
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC NameN,N-dimethyl-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CCN2CCOCC2)c1
InChIInChI=1S/C13H21N3O4S/c1-14(2)21(18,19)12-3-4-13(17)16(11-12)6-5-15-7-9-20-10-8-15/h3-4,11H,5-10H2,1-2H3
InChIKeyKJBLXKBSJSCOHM-UHFFFAOYSA-N
XLogP-0.57
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 5-0.57
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-morpholin-4-ylethyl)-6-oxopyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-sulfonamide (CID 35813064) is N,N-dimethyl-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(=O)n(CCN2CCOCC2)c1.
What is the InChIKey of N,N-dimethyl-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-sulfonamide?
The InChIKey is KJBLXKBSJSCOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-14(2)21(18,19)12-3-4-13(17)16(11-12)6-5-15-7-9-20-10-8-15/h3-4,11H,5-10H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-sulfonamide?
N,N-dimethyl-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-sulfonamide has a molecular weight of 315.39 g/mol, XLogP of -0.57, 5 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-morpholin-4-ylethyl)-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 35813064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).