N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

C13H24N4O2S — CID 79610045

IUPACN-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCNC(CC1CCCN(S(C)(=O)=O)C1)c1ccn(C)n1
InChIInChI=1S/C13H24N4O2S/c1-14-13(12-6-8-16(2)15-12)9-11-5-4-7-17(10-11)20(3,18)19/h6,8,11,13-14H,4-5,7,9-10H2,1-3H3
InChIKeyLKCWBZFXZDPAJE-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.74
Rot. Bonds5

About N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine

N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (PubChem CID 79610045) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
PubChem CID79610045
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
SMILESCNC(CC1CCCN(S(C)(=O)=O)C1)c1ccn(C)n1
InChIInChI=1S/C13H24N4O2S/c1-14-13(12-6-8-16(2)15-12)9-11-5-4-7-17(10-11)20(3,18)19/h6,8,11,13-14H,4-5,7,9-10H2,1-3H3
InChIKeyLKCWBZFXZDPAJE-UHFFFAOYSA-N
XLogP0.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105228709
1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine
CID 79778965
N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011016
1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105167000
1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609321
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine
CID 79609569
2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline
CID 105223840
[1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322786
[1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 106694587
[1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322812
N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79612431

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine (CID 79610045) is N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is CNC(CC1CCCN(S(C)(=O)=O)C1)c1ccn(C)n1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
The InChIKey is LKCWBZFXZDPAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-14-13(12-6-8-16(2)15-12)9-11-5-4-7-17(10-11)20(3,18)19/h6,8,11,13-14H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine?
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine has a molecular weight of 300.43 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 79610045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).