2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide

C13H21N3O3S — CID 47215824

IUPAC2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)N2CC(C)OC(C)C2)cn1
InChIInChI=1S/C13H21N3O3S/c1-10-4-5-13(6-14-10)7-15-20(17,18)16-8-11(2)19-12(3)9-16/h4-6,11-12,15H,7-9H2,1-3H3
InChIKeyOFQSSFQIESCPQX-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.83
Rot. Bonds4

About 2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide

2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide (PubChem CID 47215824) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide
PubChem CID47215824
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)N2CC(C)OC(C)C2)cn1
InChIInChI=1S/C13H21N3O3S/c1-10-4-5-13(6-14-10)7-15-20(17,18)16-8-11(2)19-12(3)9-16/h4-6,11-12,15H,7-9H2,1-3H3
InChIKeyOFQSSFQIESCPQX-UHFFFAOYSA-N
XLogP0.83
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 94022877
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120724059
N-[(6-methoxynaphthalen-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 17468641
(2S,6S)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 52527539
5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 79993346
1-[4-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 46452711
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 47065243
N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120715648
5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine
CID 47215825
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide
CID 52518103
5-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
CID 81092682
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35388805

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide?
The IUPAC name of 2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide (CID 47215824) is 2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide.
What is the SMILES notation for 2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide?
The canonical SMILES for 2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide is Cc1ccc(CNS(=O)(=O)N2CC(C)OC(C)C2)cn1.
What is the InChIKey of 2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide?
The InChIKey is OFQSSFQIESCPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10-4-5-13(6-14-10)7-15-20(17,18)16-8-11(2)19-12(3)9-16/h4-6,11-12,15H,7-9H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide?
2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 47215824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).