methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate

C12H16N2O4S — CID 49454499

IUPACmethyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C12H16N2O4S/c1-18-12(15)11-6-2-3-8-14(11)19(16,17)10-5-4-7-13-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3
InChIKeyNLROHFJWRAPZPM-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.80
Rot. Bonds3

About methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate

methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate (PubChem CID 49454499) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate
PubChem CID49454499
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Namemethyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C12H16N2O4S/c1-18-12(15)11-6-2-3-8-14(11)19(16,17)10-5-4-7-13-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3
InChIKeyNLROHFJWRAPZPM-UHFFFAOYSA-N
XLogP0.80
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
methyl 1-(3-bromophenyl)sulfonylpiperidine-2-carboxylate
CID 60700632
N-(3,5-dimethoxyphenyl)-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide
CID 71305108
methyl 1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 81259925
methyl (2R)-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxylate
CID 79836498
methyl 1-(1H-pyrrol-3-ylsulfonyl)piperidine-2-carboxylate
CID 113330736
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
methyl 1-(4-cyanophenyl)sulfonylpiperidine-2-carboxylate
CID 115279298
methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409871
methyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate
CID 163144259
1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol
CID 79538362

Frequently Asked Questions

What is the IUPAC name of methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate?
The IUPAC name of methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate (CID 49454499) is methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate?
The canonical SMILES for methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate is COC(=O)C1CCCCN1S(=O)(=O)c1cccnc1.
What is the InChIKey of methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate?
The InChIKey is NLROHFJWRAPZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-18-12(15)11-6-2-3-8-14(11)19(16,17)10-5-4-7-13-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3.
What are the key properties of methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate?
methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate has a molecular weight of 284.34 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate is sourced from PubChem (CID 49454499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).