methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate

C12H17N3O4S — CID 115533411

IUPACmethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(S(=O)(=O)c2cccnc2N)C1
InChIInChI=1S/C12H17N3O4S/c1-19-12(16)9-4-3-7-15(8-9)20(17,18)10-5-2-6-14-11(10)13/h2,5-6,9H,3-4,7-8H2,1H3,(H2,13,14)
InChIKeyCONKLDVANWHLCO-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.24
Rot. Bonds3

About methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate

methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate (PubChem CID 115533411) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
PubChem CID115533411
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Namemethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(S(=O)(=O)c2cccnc2N)C1
InChIInChI=1S/C12H17N3O4S/c1-19-12(16)9-4-3-7-15(8-9)20(17,18)10-5-2-6-14-11(10)13/h2,5-6,9H,3-4,7-8H2,1H3,(H2,13,14)
InChIKeyCONKLDVANWHLCO-UHFFFAOYSA-N
XLogP0.24
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 65427988
methyl 1-[(2-cyano-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 106545929
methyl (3S)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 79476883
ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate
CID 2917197
methyl 1-(5-amino-2-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 115533406
3-(4-methoxypiperidin-1-yl)sulfonylpyridin-2-amine
CID 62145337
(3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol
CID 107213209
methyl (3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 79031942
methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate
CID 78920725
[4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone
CID 65425898
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate (CID 115533411) is methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate is COC(=O)C1CCCN(S(=O)(=O)c2cccnc2N)C1.
What is the InChIKey of methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate?
The InChIKey is CONKLDVANWHLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-19-12(16)9-4-3-7-15(8-9)20(17,18)10-5-2-6-14-11(10)13/h2,5-6,9H,3-4,7-8H2,1H3,(H2,13,14).
What are the key properties of methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate?
methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate has a molecular weight of 299.35 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate is sourced from PubChem (CID 115533411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).