[2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone

C12H17N3OS — CID 113378982

IUPAC[2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone
SMILESCNc1cc(C(=O)N2CCSCC2)cc(C)n1
InChIInChI=1S/C12H17N3OS/c1-9-7-10(8-11(13-2)14-9)12(16)15-3-5-17-6-4-15/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeySEOQPSQNJRDKOO-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.62
Rot. Bonds2

About [2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone

[2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone (PubChem CID 113378982) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is [2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone
PubChem CID113378982
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name[2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone
SMILESCNc1cc(C(=O)N2CCSCC2)cc(C)n1
InChIInChI=1S/C12H17N3OS/c1-9-7-10(8-11(13-2)14-9)12(16)15-3-5-17-6-4-15/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeySEOQPSQNJRDKOO-UHFFFAOYSA-N
XLogP1.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone
CID 106673820
[3,5-difluoro-4-(methylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 63187323
(2-hydrazinyl-6-methyl-4-pyridinyl)-morpholin-4-ylmethanone
CID 70843948
(2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone
CID 62243993
[2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 113378946
(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone
CID 62242607
[2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone
CID 55042424
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058
[2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186716
(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone
CID 63211977
N-(2,2-dimethylcyclopropyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 113379043
2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 146085920

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone (CID 113378982) is [2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone is CNc1cc(C(=O)N2CCSCC2)cc(C)n1.
What is the InChIKey of [2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone?
The InChIKey is SEOQPSQNJRDKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-9-7-10(8-11(13-2)14-9)12(16)15-3-5-17-6-4-15/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of [2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone?
[2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone has a molecular weight of 251.35 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 113378982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).