N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine

C12H22N4O2S — CID 104710312

IUPACN-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(S(=O)(=O)c2ccnn2C)CC1
InChIInChI=1S/C12H22N4O2S/c1-3-13-10-11-5-8-16(9-6-11)19(17,18)12-4-7-14-15(12)2/h4,7,11,13H,3,5-6,8-10H2,1-2H3
InChIKeyDDIIEJCGBBNWGI-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.43
Rot. Bonds5

About N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine

N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine (PubChem CID 104710312) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine
PubChem CID104710312
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(S(=O)(=O)c2ccnn2C)CC1
InChIInChI=1S/C12H22N4O2S/c1-3-13-10-11-5-8-16(9-6-11)19(17,18)12-4-7-14-15(12)2/h4,7,11,13H,3,5-6,8-10H2,1-2H3
InChIKeyDDIIEJCGBBNWGI-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine with MolForge

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Related Compounds

methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate
CID 113444014
4-(methoxymethyl)-1-(2-methylpyrazol-3-yl)sulfonylazepane
CID 139013446
1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708376
5-[3-(2-chloroethyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 114801854
1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 104709610
1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one
CID 104709956
N-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990721
1-(2-methylpyrazol-3-yl)sulfonyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine
CID 124727248
3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine
CID 104710309
[4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine
CID 114960765
N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361
N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990592

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine (CID 104710312) is N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine is CCNCC1CCN(S(=O)(=O)c2ccnn2C)CC1.
What is the InChIKey of N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine?
The InChIKey is DDIIEJCGBBNWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-13-10-11-5-8-16(9-6-11)19(17,18)12-4-7-14-15(12)2/h4,7,11,13H,3,5-6,8-10H2,1-2H3.
What are the key properties of N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine?
N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine has a molecular weight of 286.40 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 104710312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).