1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-ethylpiperidine

C12H21N3O2S — CID 19682811

IUPAC1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C12H21N3O2S/c1-4-11-7-5-6-8-15(11)18(16,17)12-9-14(3)13-10(12)2/h9,11H,4-8H2,1-3H3
InChIKeyLMKXMRSLKUWVMO-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.68
Rot. Bonds3

About 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-ethylpiperidine

1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-ethylpiperidine (PubChem CID 19682811) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-ethylpiperidine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-ethylpiperidine
PubChem CID19682811
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C12H21N3O2S/c1-4-11-7-5-6-8-15(11)18(16,17)12-9-14(3)13-10(12)2/h9,11H,4-8H2,1-3H3
InChIKeyLMKXMRSLKUWVMO-UHFFFAOYSA-N
XLogP1.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine
CID 6465895
1,3-Dimethyl-4-[(4-propylpiperazinyl)sulfonyl]pyrazole
CID 6466875
1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 4635707
1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 13342783
3-Methyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 19620090
N-cyclopentyl-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6468008
1-((1,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-piperidinamine
CID 25247406
1-Ethyl-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 6485338
1-Ethyl-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 17024580
1,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 17024754
3-Methyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride
CID 19576914
3-methyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonamide
CID 66020430

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-ethylpiperidine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-ethylpiperidine (CID 19682811) is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-ethylpiperidine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-ethylpiperidine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-ethylpiperidine is CCC1CCCCN1S(=O)(=O)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-ethylpiperidine?
The InChIKey is LMKXMRSLKUWVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-11-7-5-6-8-15(11)18(16,17)12-9-14(3)13-10(12)2/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-ethylpiperidine?
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-ethylpiperidine has a molecular weight of 271.39 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-ethylpiperidine is sourced from PubChem (CID 19682811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).