[2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine

C11H20N4O2S — CID 79623257

IUPAC[2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine
SMILESCS(=O)(=O)N1CCCC(Cn2nccc2CN)C1
InChIInChI=1S/C11H20N4O2S/c1-18(16,17)14-6-2-3-10(8-14)9-15-11(7-12)4-5-13-15/h4-5,10H,2-3,6-9,12H2,1H3
InChIKeyGAKOEQKHGQNJCH-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.01
Rot. Bonds4

About [2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine

[2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine (PubChem CID 79623257) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is [2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine
PubChem CID79623257
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name[2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine
SMILESCS(=O)(=O)N1CCCC(Cn2nccc2CN)C1
InChIInChI=1S/C11H20N4O2S/c1-18(16,17)14-6-2-3-10(8-14)9-15-11(7-12)4-5-13-15/h4-5,10H,2-3,6-9,12H2,1H3
InChIKeyGAKOEQKHGQNJCH-UHFFFAOYSA-N
XLogP0.01
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine
CID 79612105
1-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105167008
N-methyl-1-[2-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 79622565
4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124964395
5-cyclopropyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-amine
CID 79622158
1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol
CID 116799380
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
4-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propylpyrazol-3-yl)pyrimidine
CID 124976471
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918136
5-(aminomethyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one
CID 112594219
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908997
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,3-dihydroisoindol-4-amine
CID 79610232

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine?
The IUPAC name of [2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine (CID 79623257) is [2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine.
What is the SMILES notation for [2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine?
The canonical SMILES for [2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine is CS(=O)(=O)N1CCCC(Cn2nccc2CN)C1.
What is the InChIKey of [2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine?
The InChIKey is GAKOEQKHGQNJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-18(16,17)14-6-2-3-10(8-14)9-15-11(7-12)4-5-13-15/h4-5,10H,2-3,6-9,12H2,1H3.
What are the key properties of [2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine?
[2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine has a molecular weight of 272.37 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine is sourced from PubChem (CID 79623257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).