1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine

C12H22N4O2S — CID 28731287

IUPAC1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NCc2cnn(C)c2)CC1
InChIInChI=1S/C12H22N4O2S/c1-3-19(17,18)16-6-4-12(5-7-16)13-8-11-9-14-15(2)10-11/h9-10,12-13H,3-8H2,1-2H3
InChIKeyAQPXMGLDZINDSE-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.32
Rot. Bonds5

About 1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine

1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 28731287) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID28731287
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NCc2cnn(C)c2)CC1
InChIInChI=1S/C12H22N4O2S/c1-3-19(17,18)16-6-4-12(5-7-16)13-8-11-9-14-15(2)10-11/h9-10,12-13H,3-8H2,1-2H3
InChIKeyAQPXMGLDZINDSE-UHFFFAOYSA-N
XLogP0.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-ethylpyrazole-4-sulfonamide
CID 6466244
N-cyclopentyl-1-ethyl-1H-pyrazole-4-sulfonamide
CID 19582858
1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
CID 25247408
1-((1-methyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine hydrochloride
CID 53536972
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 45806340
N-[3-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 53566932
N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propane-1-sulfonamide
CID 53621134
2-[(4-Methylpyrazol-1-yl)methyl]-1-(3-methylsulfonylpropyl)piperidine
CID 56780379
N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide
CID 56780541
1-(1-Propan-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 71688427
2-[(4-Methylpyrazol-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine
CID 72141347
3-[2-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]propane-1-sulfonamide
CID 72141875

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine (CID 28731287) is 1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine is CCS(=O)(=O)N1CCC(NCc2cnn(C)c2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is AQPXMGLDZINDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-19(17,18)16-6-4-12(5-7-16)13-8-11-9-14-15(2)10-11/h9-10,12-13H,3-8H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine?
1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 286.40 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 28731287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).