1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide

C13H19N3O3S — CID 62830617

IUPAC1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide
SMILESCc1ccc(C(=O)N2CCCC(S(N)(=O)=O)C2)c(C)n1
InChIInChI=1S/C13H19N3O3S/c1-9-5-6-12(10(2)15-9)13(17)16-7-3-4-11(8-16)20(14,18)19/h5-6,11H,3-4,7-8H2,1-2H3,(H2,14,18,19)
InChIKeyKPONLYLWRZVJPN-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.59
Rot. Bonds2

About 1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide

1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide (PubChem CID 62830617) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide
PubChem CID62830617
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide
SMILESCc1ccc(C(=O)N2CCCC(S(N)(=O)=O)C2)c(C)n1
InChIInChI=1S/C13H19N3O3S/c1-9-5-6-12(10(2)15-9)13(17)16-7-3-4-11(8-16)20(14,18)19/h5-6,11H,3-4,7-8H2,1-2H3,(H2,14,18,19)
InChIKeyKPONLYLWRZVJPN-UHFFFAOYSA-N
XLogP0.59
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61060522
[3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119465061
(2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 61060891
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601
(3-bromopyrrolidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80677896
(3R)-1-(6-cyclopropyl-2-methylpyridine-3-carbonyl)-N,N-dimethylpiperidine-3-sulfonamide
CID 129347090
(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 62829888
(2,6-dimethyl-3-pyridinyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466183
1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide
CID 64867620
(4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 114683136
(4-bromopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80661867
(2,6-dimethyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 128939743

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide?
The IUPAC name of 1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide (CID 62830617) is 1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide.
What is the SMILES notation for 1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide?
The canonical SMILES for 1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide is Cc1ccc(C(=O)N2CCCC(S(N)(=O)=O)C2)c(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide?
The InChIKey is KPONLYLWRZVJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-5-6-12(10(2)15-9)13(17)16-7-3-4-11(8-16)20(14,18)19/h5-6,11H,3-4,7-8H2,1-2H3,(H2,14,18,19).
What are the key properties of 1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide?
1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide is sourced from PubChem (CID 62830617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).