3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine

C10H18N4O2S — CID 104710309

IUPAC3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine
SMILESCC1CN(S(=O)(=O)c2ccnn2C)CCC1N
InChIInChI=1S/C10H18N4O2S/c1-8-7-14(6-4-9(8)11)17(15,16)10-3-5-12-13(10)2/h3,5,8-9H,4,6-7,11H2,1-2H3
InChIKeyJXFYVKVCZYJQIW-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.22
Rot. Bonds2

About 3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine

3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine (PubChem CID 104710309) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine
PubChem CID104710309
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine
SMILESCC1CN(S(=O)(=O)c2ccnn2C)CCC1N
InChIInChI=1S/C10H18N4O2S/c1-8-7-14(6-4-9(8)11)17(15,16)10-3-5-12-13(10)2/h3,5,8-9H,4,6-7,11H2,1-2H3
InChIKeyJXFYVKVCZYJQIW-UHFFFAOYSA-N
XLogP-0.22
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708376
[4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine
CID 114960765
1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 104709610
5-[3-(2-chloroethyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 114801854
(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid
CID 104709718
(3S,4R)-1-(2-methylpyrazol-3-yl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120766460
methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate
CID 113444014
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119984050
N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 104710312
1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one
CID 104709956
1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79867451
3-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine
CID 79867888

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine?
The IUPAC name of 3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine (CID 104710309) is 3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine?
The canonical SMILES for 3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine is CC1CN(S(=O)(=O)c2ccnn2C)CCC1N.
What is the InChIKey of 3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine?
The InChIKey is JXFYVKVCZYJQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-8-7-14(6-4-9(8)11)17(15,16)10-3-5-12-13(10)2/h3,5,8-9H,4,6-7,11H2,1-2H3.
What are the key properties of 3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine?
3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine has a molecular weight of 258.35 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 104710309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).