N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide

C13H22N4O3S — CID 103341176

IUPACN,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide
SMILESCN(CC1CNCCO1)c1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C13H22N4O3S/c1-16(2)21(18,19)12-4-5-13(15-9-12)17(3)10-11-8-14-6-7-20-11/h4-5,9,11,14H,6-8,10H2,1-3H3
InChIKeyLQHZZOKGLRFXGC-UHFFFAOYSA-N
MW314.41 g/mol
LogP-0.24
Rot. Bonds5

About N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide

N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide (PubChem CID 103341176) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide
PubChem CID103341176
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide
SMILESCN(CC1CNCCO1)c1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C13H22N4O3S/c1-16(2)21(18,19)12-4-5-13(15-9-12)17(3)10-11-8-14-6-7-20-11/h4-5,9,11,14H,6-8,10H2,1-3H3
InChIKeyLQHZZOKGLRFXGC-UHFFFAOYSA-N
XLogP-0.24
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide (CID 103341176) is N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide is CN(CC1CNCCO1)c1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide?
The InChIKey is LQHZZOKGLRFXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-16(2)21(18,19)12-4-5-13(15-9-12)17(3)10-11-8-14-6-7-20-11/h4-5,9,11,14H,6-8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide?
N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide is sourced from PubChem (CID 103341176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).