methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate

C14H18N2O3S — CID 78919070

IUPACmethyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)c2cccnc2SC)C1
InChIInChI=1S/C14H18N2O3S/c1-19-14(18)10-5-4-8-16(9-10)13(17)11-6-3-7-15-12(11)20-2/h3,6-7,10H,4-5,8-9H2,1-2H3
InChIKeyHGZGNUUUSWCZES-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.83
Rot. Bonds3

About methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate

methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate (PubChem CID 78919070) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
PubChem CID78919070
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Namemethyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)c2cccnc2SC)C1
InChIInChI=1S/C14H18N2O3S/c1-19-14(18)10-5-4-8-16(9-10)13(17)11-6-3-7-15-12(11)20-2/h3,6-7,10H,4-5,8-9H2,1-2H3
InChIKeyHGZGNUUUSWCZES-UHFFFAOYSA-N
XLogP1.83
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 81338802
methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate
CID 78919789
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280081
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257485
methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate
CID 78950884
methyl 2-[1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 86264233
methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
CID 78919045
methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 78919388
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259988
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96576382
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 122261529
methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919707

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate (CID 78919070) is methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)c2cccnc2SC)C1.
What is the InChIKey of methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is HGZGNUUUSWCZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-19-14(18)10-5-4-8-16(9-10)13(17)11-6-3-7-15-12(11)20-2/h3,6-7,10H,4-5,8-9H2,1-2H3.
What are the key properties of methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate?
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 294.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 78919070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).