1-(1H-pyrazol-4-ylsulfonyl)piperidine

C8H13N3O2S — CID 60911037

IUPAC1-(1H-pyrazol-4-ylsulfonyl)piperidine
SMILESO=S(=O)(c1cn[nH]c1)N1CCCCC1
InChIInChI=1S/C8H13N3O2S/c12-14(13,8-6-9-10-7-8)11-4-2-1-3-5-11/h6-7H,1-5H2,(H,9,10)
InChIKeyKMFXUJBKEFUODM-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.58
Rot. Bonds2

About 1-(1H-pyrazol-4-ylsulfonyl)piperidine

1-(1H-pyrazol-4-ylsulfonyl)piperidine (PubChem CID 60911037) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylsulfonyl)piperidine
PubChem CID60911037
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-(1H-pyrazol-4-ylsulfonyl)piperidine
SMILESO=S(=O)(c1cn[nH]c1)N1CCCCC1
InChIInChI=1S/C8H13N3O2S/c12-14(13,8-6-9-10-7-8)11-4-2-1-3-5-11/h6-7H,1-5H2,(H,9,10)
InChIKeyKMFXUJBKEFUODM-UHFFFAOYSA-N
XLogP0.58
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-sulfonamide
CID 54594730
1H-pyrazole-4-sulfonamide
CID 45080579
1-(1H-pyrazol-4-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 47267551
rac-(1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane
CID 131898755
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268117
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268215
N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268216
N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47388120
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54876999
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60916745
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60917319
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60960173

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The IUPAC name of 1-(1H-pyrazol-4-ylsulfonyl)piperidine (CID 60911037) is 1-(1H-pyrazol-4-ylsulfonyl)piperidine.
What is the SMILES notation for 1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The canonical SMILES for 1-(1H-pyrazol-4-ylsulfonyl)piperidine is O=S(=O)(c1cn[nH]c1)N1CCCCC1.
What is the InChIKey of 1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The InChIKey is KMFXUJBKEFUODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c12-14(13,8-6-9-10-7-8)11-4-2-1-3-5-11/h6-7H,1-5H2,(H,9,10).
What are the key properties of 1-(1H-pyrazol-4-ylsulfonyl)piperidine?
1-(1H-pyrazol-4-ylsulfonyl)piperidine has a molecular weight of 215.28 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylsulfonyl)piperidine is sourced from PubChem (CID 60911037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).