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

C10H17N3O2S — CID 60911158

IUPAC2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
SMILESCCC1CCCCN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H17N3O2S/c1-2-9-5-3-4-6-13(9)16(14,15)10-7-11-12-8-10/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyYNKQXIRANKINCS-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.36
Rot. Bonds3

About 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine

2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine (PubChem CID 60911158) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine.

Molecular Properties

Compound Name2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
PubChem CID60911158
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
SMILESCCC1CCCCN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H17N3O2S/c1-2-9-5-3-4-6-13(9)16(14,15)10-7-11-12-8-10/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyYNKQXIRANKINCS-UHFFFAOYSA-N
XLogP1.36
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-sulfonamide
CID 54594730
rac-(1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane
CID 131898755
N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-1H-pyrazole-4-sulfonamide
CID 131950420
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-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-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60960173
1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine
CID 61274671
1-(1H-pyrazol-4-ylsulfonyl)-4-(trifluoromethyl)piperidine
CID 65530849
N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide
CID 82816677
1-(1H-pyrazole-4-sulfonyl)piperidine
CID 60911037

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The IUPAC name of 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine (CID 60911158) is 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine.
What is the SMILES notation for 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The canonical SMILES for 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine is CCC1CCCCN1S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
The InChIKey is YNKQXIRANKINCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-9-5-3-4-6-13(9)16(14,15)10-7-11-12-8-10/h7-9H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine?
2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine has a molecular weight of 243.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine is sourced from PubChem (CID 60911158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).