2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine

C13H23N3O2S — CID 19682814

IUPAC2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)c1cnn(CC)c1C
InChIInChI=1S/C13H23N3O2S/c1-4-12-8-6-7-9-16(12)19(17,18)13-10-14-15(5-2)11(13)3/h10,12H,4-9H2,1-3H3
InChIKeyIAUROMFKRFUBID-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.16
Rot. Bonds4

About 2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine

2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 19682814) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine
PubChem CID19682814
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)c1cnn(CC)c1C
InChIInChI=1S/C13H23N3O2S/c1-4-12-8-6-7-9-16(12)19(17,18)13-10-14-15(5-2)11(13)3/h10,12H,4-9H2,1-3H3
InChIKeyIAUROMFKRFUBID-UHFFFAOYSA-N
XLogP2.16
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methylpyrazine
CID 110114115
1-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonyl-2-ethylazepane
CID 104692858
3-(2-ethylpyrrolidin-1-yl)sulfonyl-4-methylbenzoic acid
CID 60973510
N-ethyl-3-(2-ethylazepan-1-yl)sulfonylpyridin-4-amine
CID 104691705
[4-(2-ethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 53068605
3-(2-ethylpiperidin-1-yl)sulfonyl-4-fluoro-5-methylaniline
CID 80646546
1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-2-ethylpiperidine
CID 66486193
methyl 4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-1,5-dimethylpyrrole-2-carboxylate
CID 95068801
4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline
CID 79588507
5-chloro-3-(2-ethylazepan-1-yl)sulfonyl-2-methylaniline
CID 114380157
1-[[5-(chloromethyl)-2-pyridinyl]sulfonyl]-2-ethylazepane
CID 104692863
1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine
CID 47071466

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine (CID 19682814) is 2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine is CCC1CCCCN1S(=O)(=O)c1cnn(CC)c1C.
What is the InChIKey of 2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is IAUROMFKRFUBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-12-8-6-7-9-16(12)19(17,18)13-10-14-15(5-2)11(13)3/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine?
2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 285.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 19682814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).