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

C14H18N2O3S — CID 115280081

IUPACmethyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cccnc1SC
InChIInChI=1S/C14H18N2O3S/c1-19-14(18)11-7-3-4-9-16(11)13(17)10-6-5-8-15-12(10)20-2/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyDWQHAPNGJKQWKD-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.97
Rot. Bonds3

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

methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate (PubChem CID 115280081) 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-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate
PubChem CID115280081
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Namemethyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cccnc1SC
InChIInChI=1S/C14H18N2O3S/c1-19-14(18)11-7-3-4-9-16(11)13(17)10-6-5-8-15-12(10)20-2/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyDWQHAPNGJKQWKD-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate
CID 78925496
methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43423446
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919070
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate
CID 61377854
methyl (2S)-1-(2-cyanopyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 134845489
methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 81002507
methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80975676
methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate
CID 61295467
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 21255125
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 43410027

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate (CID 115280081) is methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1cccnc1SC.
What is the InChIKey of methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate?
The InChIKey is DWQHAPNGJKQWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-19-14(18)11-7-3-4-9-16(11)13(17)10-6-5-8-15-12(10)20-2/h5-6,8,11H,3-4,7,9H2,1-2H3.
What are the key properties of methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate?
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate has a molecular weight of 294.38 g/mol, XLogP of 1.97, 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-2-carboxylate is sourced from PubChem (CID 115280081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).