ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate

C11H17N3O4S — CID 102693712

IUPACethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccn[nH]2)C1
InChIInChI=1S/C11H17N3O4S/c1-2-18-11(15)9-4-3-7-14(8-9)19(16,17)10-5-6-12-13-10/h5-6,9H,2-4,7-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyNDBORRXXRHIHMW-VIFPVBQESA-N
MW287.34 g/mol
LogP0.37
Rot. Bonds4

About ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate

ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate (PubChem CID 102693712) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate
PubChem CID102693712
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Nameethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccn[nH]2)C1
InChIInChI=1S/C11H17N3O4S/c1-2-18-11(15)9-4-3-7-14(8-9)19(16,17)10-5-6-12-13-10/h5-6,9H,2-4,7-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyNDBORRXXRHIHMW-VIFPVBQESA-N
XLogP0.37
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371
ethyl (3S)-1-[4-[4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidine-3-carboxylate
CID 98207041
ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate
CID 2198274
ethyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 65427988
ethyl 1-(2-hydroxyphenyl)sulfonylpiperidine-3-carboxylate
CID 81239319
ethyl (3S)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 81307471
ethyl (3R)-1-(4-bromophenyl)sulfonylpiperidine-3-carboxylate
CID 1345678
ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate
CID 2917197
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
ethyl (3R)-1-(2,6-difluorophenyl)sulfonylpiperidine-3-carboxylate
CID 92977544
ethyl (3S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxylate
CID 7299644

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate (CID 102693712) is ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccn[nH]2)C1.
What is the InChIKey of ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate?
The InChIKey is NDBORRXXRHIHMW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-2-18-11(15)9-4-3-7-14(8-9)19(16,17)10-5-6-12-13-10/h5-6,9H,2-4,7-8H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate?
ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate is sourced from PubChem (CID 102693712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).