methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate

C14H20N2O4S — CID 78920725

IUPACmethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(S(=O)(=O)CCc2ccccn2)C1
InChIInChI=1S/C14H20N2O4S/c1-20-14(17)12-5-4-9-16(11-12)21(18,19)10-7-13-6-2-3-8-15-13/h2-3,6,8,12H,4-5,7,9-11H2,1H3
InChIKeyMURHGRCZHZIUEZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.84
Rot. Bonds5

About methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate

methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate (PubChem CID 78920725) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate
PubChem CID78920725
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Namemethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(S(=O)(=O)CCc2ccccn2)C1
InChIInChI=1S/C14H20N2O4S/c1-20-14(17)12-5-4-9-16(11-12)21(18,19)10-7-13-6-2-3-8-15-13/h2-3,6,8,12H,4-5,7,9-11H2,1H3
InChIKeyMURHGRCZHZIUEZ-UHFFFAOYSA-N
XLogP0.84
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-pyridin-2-ylethylsulfonyl)pyrrolidine-2-carboxylate
CID 60865617
methyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate
CID 78926034
1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110335855
1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4532780
2-[2-[3-(chloromethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63397714
ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate
CID 23959675
(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
CID 79030740
(3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 1445005
2-[2-[3-(2-chloroethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63400545
methyl 1-(3-chloropropylsulfonyl)piperidine-3-carboxylate
CID 115536328
methyl (3S)-1-(3-methylbutylsulfonyl)piperidine-3-carboxylate
CID 79032932
1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol
CID 63106619

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate (CID 78920725) is methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate is COC(=O)C1CCCN(S(=O)(=O)CCc2ccccn2)C1.
What is the InChIKey of methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate?
The InChIKey is MURHGRCZHZIUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-20-14(17)12-5-4-9-16(11-12)21(18,19)10-7-13-6-2-3-8-15-13/h2-3,6,8,12H,4-5,7,9-11H2,1H3.
What are the key properties of methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate?
methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate is sourced from PubChem (CID 78920725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).