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

C11H20N4O2S — CID 114960765

IUPAC[4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2ccnn2C)CC1CN
InChIInChI=1S/C11H20N4O2S/c1-9-4-6-15(8-10(9)7-12)18(16,17)11-3-5-13-14(11)2/h3,5,9-10H,4,6-8,12H2,1-2H3
InChIKeyMQIJEYUWRKYUKU-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.03
Rot. Bonds3

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

[4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine (PubChem CID 114960765) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is [4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine
PubChem CID114960765
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name[4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2ccnn2C)CC1CN
InChIInChI=1S/C11H20N4O2S/c1-9-4-6-15(8-10(9)7-12)18(16,17)11-3-5-13-14(11)2/h3,5,9-10H,4,6-8,12H2,1-2H3
InChIKeyMQIJEYUWRKYUKU-UHFFFAOYSA-N
XLogP0.03
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine
CID 104710309
1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708376
1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 104709610
5-[3-(2-chloroethyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 114801854
[1-(4-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960912
[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960772
[4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine
CID 103005361
[1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960889
[1-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylsulfonyl)-4-methylpiperidin-3-yl]methanamine
CID 114960814
(4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine
CID 114960944
[4-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-yl]methanamine
CID 114960919
(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid
CID 104709718

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine?
The IUPAC name of [4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine (CID 114960765) is [4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine?
The canonical SMILES for [4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine is CC1CCN(S(=O)(=O)c2ccnn2C)CC1CN.
What is the InChIKey of [4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine?
The InChIKey is MQIJEYUWRKYUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9-4-6-15(8-10(9)7-12)18(16,17)11-3-5-13-14(11)2/h3,5,9-10H,4,6-8,12H2,1-2H3.
What are the key properties of [4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine?
[4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine has a molecular weight of 272.37 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114960765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).