3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine

C10H16ClN3O2S — CID 102693933

IUPAC3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccn[nH]1)N1CCCC(CCCl)C1
InChIInChI=1S/C10H16ClN3O2S/c11-5-3-9-2-1-7-14(8-9)17(15,16)10-4-6-12-13-10/h4,6,9H,1-3,5,7-8H2,(H,12,13)
InChIKeyBQQXKUXRXWTFQC-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.44
Rot. Bonds4

About 3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine

3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine (PubChem CID 102693933) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is 3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine.

Molecular Properties

Compound Name3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
PubChem CID102693933
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccn[nH]1)N1CCCC(CCCl)C1
InChIInChI=1S/C10H16ClN3O2S/c11-5-3-9-2-1-7-14(8-9)17(15,16)10-4-6-12-13-10/h4,6,9H,1-3,5,7-8H2,(H,12,13)
InChIKeyBQQXKUXRXWTFQC-UHFFFAOYSA-N
XLogP1.44
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102693991
5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
CID 102693338
(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine
CID 102693661
3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine
CID 106315908
ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate
CID 102693712
4-methylsulfanyl-1-(1H-pyrazol-5-ylsulfonyl)azepane
CID 114238088
3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine
CID 105400625
4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102692305
N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine
CID 102692300
5-(1H-pyrazol-5-ylsulfonyl)-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 102690954
5-[3-(2-chloroethyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 114801854
(3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 124972358

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine?
The IUPAC name of 3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine (CID 102693933) is 3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine.
What is the SMILES notation for 3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine?
The canonical SMILES for 3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine is O=S(=O)(c1ccn[nH]1)N1CCCC(CCCl)C1.
What is the InChIKey of 3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine?
The InChIKey is BQQXKUXRXWTFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c11-5-3-9-2-1-7-14(8-9)17(15,16)10-4-6-12-13-10/h4,6,9H,1-3,5,7-8H2,(H,12,13).
What are the key properties of 3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine?
3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine has a molecular weight of 277.78 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine is sourced from PubChem (CID 102693933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).