1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine

C10H16BrN3O2S — CID 126823017

IUPAC1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1cnn(C)c1Br
InChIInChI=1S/C10H16BrN3O2S/c1-8-5-3-4-6-14(8)17(15,16)9-7-12-13(2)10(9)11/h7-8H,3-6H2,1-2H3
InChIKeyFCCDLBXQEPHEDQ-UHFFFAOYSA-N
MW322.23 g/mol
LogP1.75
Rot. Bonds2

About 1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine

1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine (PubChem CID 126823017) has the molecular formula C10H16BrN3O2S and a molecular weight of 322.23 g/mol. Its IUPAC name is 1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine
PubChem CID126823017
Molecular FormulaC10H16BrN3O2S
Molecular Weight322.23 g/mol
Exact Mass321.01
IUPAC Name1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1cnn(C)c1Br
InChIInChI=1S/C10H16BrN3O2S/c1-8-5-3-4-6-14(8)17(15,16)9-7-12-13(2)10(9)11/h7-8H,3-6H2,1-2H3
InChIKeyFCCDLBXQEPHEDQ-UHFFFAOYSA-N
XLogP1.75
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine
CID 5025166
5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62150356
1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine
CID 2873404
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-1-sulfonamide
CID 79524471
2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline
CID 55152333
1-(2-bromo-4,6-difluorophenyl)sulfonyl-2-methylpiperidine
CID 54917710
2-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 60928789
1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine
CID 6619456
3,5-dibromo-2-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43256908
(2S)-2-methyl-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 95738790
1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine
CID 60814183
1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine
CID 3758298

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine?
The IUPAC name of 1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine (CID 126823017) is 1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine?
The canonical SMILES for 1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine is CC1CCCCN1S(=O)(=O)c1cnn(C)c1Br.
What is the InChIKey of 1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine?
The InChIKey is FCCDLBXQEPHEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2S/c1-8-5-3-4-6-14(8)17(15,16)9-7-12-13(2)10(9)11/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine?
1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine has a molecular weight of 322.23 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 126823017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).