2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride

C10H23ClN2O2S — CID 120718277

IUPAC2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride
SMILESCCS(=O)(=O)N1CCC(CCNC)CC1.Cl
InChIInChI=1S/C10H22N2O2S.ClH/c1-3-15(13,14)12-8-5-10(6-9-12)4-7-11-2;/h10-11H,3-9H2,1-2H3;1H
InChIKeyWZVCOQKFDRIPOA-UHFFFAOYSA-N
MW270.83 g/mol
LogP1.08
Rot. Bonds5

About 2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride

2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride (PubChem CID 120718277) has the molecular formula C10H23ClN2O2S and a molecular weight of 270.83 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride
PubChem CID120718277
Molecular FormulaC10H23ClN2O2S
Molecular Weight270.83 g/mol
Exact Mass270.12
IUPAC Name2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride
SMILESCCS(=O)(=O)N1CCC(CCNC)CC1.Cl
InChIInChI=1S/C10H22N2O2S.ClH/c1-3-15(13,14)12-8-5-10(6-9-12)4-7-11-2;/h10-11H,3-9H2,1-2H3;1H
InChIKeyWZVCOQKFDRIPOA-UHFFFAOYSA-N
XLogP1.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride
CID 17221589
2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N-methylethanamine
CID 103521462
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718415
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
(1-ethylsulfonylpiperidin-4-yl)methanamine
CID 28706827
2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718381
1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one
CID 58975937
2-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718475
tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate
CID 53256443
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
CID 103302531
2-(1-methylsulfonylpiperidin-4-yl)ethylhydrazine
CID 84687127

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride?
The IUPAC name of 2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride (CID 120718277) is 2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride is CCS(=O)(=O)N1CCC(CCNC)CC1.Cl.
What is the InChIKey of 2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride?
The InChIKey is WZVCOQKFDRIPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S.ClH/c1-3-15(13,14)12-8-5-10(6-9-12)4-7-11-2;/h10-11H,3-9H2,1-2H3;1H.
What are the key properties of 2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride?
2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride has a molecular weight of 270.83 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride is sourced from PubChem (CID 120718277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).