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

C13H19N3O4S — CID 65427988

IUPACethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)c2cccnc2N)C1
InChIInChI=1S/C13H19N3O4S/c1-2-20-13(17)10-5-4-8-16(9-10)21(18,19)11-6-3-7-15-12(11)14/h3,6-7,10H,2,4-5,8-9H2,1H3,(H2,14,15)
InChIKeyRURNJJXKYUWXEY-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.63
Rot. Bonds4

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

ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate (PubChem CID 65427988) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
PubChem CID65427988
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Nameethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)c2cccnc2N)C1
InChIInChI=1S/C13H19N3O4S/c1-2-20-13(17)10-5-4-8-16(9-10)21(18,19)11-6-3-7-15-12(11)14/h3,6-7,10H,2,4-5,8-9H2,1H3,(H2,14,15)
InChIKeyRURNJJXKYUWXEY-UHFFFAOYSA-N
XLogP0.63
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 115533411
ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate
CID 2917197
ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate
CID 81239319
ethyl (3S)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 81307471
ethyl (3R)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylate
CID 1273285
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371
ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372
ethyl (3S)-1-[4-[4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidine-3-carboxylate
CID 98207041
ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate
CID 102693712
ethyl (3R)-1-(2,6-difluorophenyl)sulfonylpiperidine-3-carboxylate
CID 92977544
ethyl (3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 81307363
ethyl (3R)-1-(2,5-dibromophenyl)sulfonylpiperidine-3-carboxylate
CID 26948371

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate (CID 65427988) is ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(S(=O)(=O)c2cccnc2N)C1.
What is the InChIKey of ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate?
The InChIKey is RURNJJXKYUWXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-2-20-13(17)10-5-4-8-16(9-10)21(18,19)11-6-3-7-15-12(11)14/h3,6-7,10H,2,4-5,8-9H2,1H3,(H2,14,15).
What are the key properties of ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate?
ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate is sourced from PubChem (CID 65427988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).