methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate

C10H15N3O4S — CID 79032593

IUPACmethyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cn[nH]c2)C1
InChIInChI=1S/C10H15N3O4S/c1-17-10(14)8-3-2-4-13(7-8)18(15,16)9-5-11-12-6-9/h5-6,8H,2-4,7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyOPGPEMHCTKJZFZ-QMMMGPOBSA-N
MW273.31 g/mol
LogP-0.02
Rot. Bonds3

About methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate

methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate (PubChem CID 79032593) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate
PubChem CID79032593
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Namemethyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cn[nH]c2)C1
InChIInChI=1S/C10H15N3O4S/c1-17-10(14)8-3-2-4-13(7-8)18(15,16)9-5-11-12-6-9/h5-6,8H,2-4,7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyOPGPEMHCTKJZFZ-QMMMGPOBSA-N
XLogP-0.02
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 79032886
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
1-(1H-pyrazol-4-ylsulfonyl)azepane
CID 60911155
methyl (3S)-1-(4-cyanophenyl)sulfonylpiperidine-3-carboxylate
CID 79031900
methyl 1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40947352
N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine
CID 115300228
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 64597039
methyl 1-(3-amino-5-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 115533410
3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol
CID 114510125
methyl (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 115536279
methyl 1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40899596

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate (CID 79032593) is methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(S(=O)(=O)c2cn[nH]c2)C1.
What is the InChIKey of methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate?
The InChIKey is OPGPEMHCTKJZFZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-17-10(14)8-3-2-4-13(7-8)18(15,16)9-5-11-12-6-9/h5-6,8H,2-4,7H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate?
methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate has a molecular weight of 273.31 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate is sourced from PubChem (CID 79032593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).