N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride

C9H21ClN2O2S — CID 17221589

IUPACN-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride
SMILESCNCCC1CCN(S(C)(=O)=O)CC1.Cl
InChIInChI=1S/C9H20N2O2S.ClH/c1-10-6-3-9-4-7-11(8-5-9)14(2,12)13;/h9-10H,3-8H2,1-2H3;1H
InChIKeyWZYGHGPRUAXFCR-UHFFFAOYSA-N
MW256.80 g/mol
LogP0.69
Rot. Bonds4

About N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride

N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride (PubChem CID 17221589) has the molecular formula C9H21ClN2O2S and a molecular weight of 256.80 g/mol. Its IUPAC name is N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride
PubChem CID17221589
Molecular FormulaC9H21ClN2O2S
Molecular Weight256.80 g/mol
Exact Mass256.10
IUPAC NameN-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride
SMILESCNCCC1CCN(S(C)(=O)=O)CC1.Cl
InChIInChI=1S/C9H20N2O2S.ClH/c1-10-6-3-9-4-7-11(8-5-9)14(2,12)13;/h9-10H,3-8H2,1-2H3;1H
InChIKeyWZYGHGPRUAXFCR-UHFFFAOYSA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride
CID 120718277
2-(1-methylsulfonylpiperidin-4-yl)ethylhydrazine
CID 84687127
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718415
2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine
CID 103521462
2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718290
N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 120718316
N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361
2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718381
N-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine
CID 65045146
2-[4-[2-(methylamino)ethyl]cyclohexyl]ethyl methanesulfonate;hydrochloride
CID 87926703
2-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718475
N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide
CID 155154969

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride?
The IUPAC name of N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride (CID 17221589) is N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride is CNCCC1CCN(S(C)(=O)=O)CC1.Cl.
What is the InChIKey of N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride?
The InChIKey is WZYGHGPRUAXFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S.ClH/c1-10-6-3-9-4-7-11(8-5-9)14(2,12)13;/h9-10H,3-8H2,1-2H3;1H.
What are the key properties of N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride?
N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride has a molecular weight of 256.80 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 17221589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).