N-(2-methoxyethyl)-N-methyl-1-(piperidin-3-ylmethyl)piperidine-3-sulfonamide;hydrochloride

C15H32ClN3O3S — CID 120850795

IUPACN-(2-methoxyethyl)-N-methyl-1-(piperidin-3-ylmethyl)piperidine-3-sulfonamide;hydrochloride
SMILESCOCCN(C)S(=O)(=O)C1CCCN(CC2CCCNC2)C1.Cl
InChIInChI=1S/C15H31N3O3S.ClH/c1-17(9-10-21-2)22(19,20)15-6-4-8-18(13-15)12-14-5-3-7-16-11-14;/h14-16H,3-13H2,1-2H3;1H
InChIKeyXDNJUKNRJBBMNH-UHFFFAOYSA-N
MW369.96 g/mol
LogP0.78
Rot. Bonds7

About N-(2-methoxyethyl)-N-methyl-1-(piperidin-3-ylmethyl)piperidine-3-sulfonamide;hydrochloride

N-(2-methoxyethyl)-N-methyl-1-(piperidin-3-ylmethyl)piperidine-3-sulfonamide;hydrochloride (PubChem CID 120850795) has the molecular formula C15H32ClN3O3S and a molecular weight of 369.96 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-1-(piperidin-3-ylmethyl)piperidine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-1-(piperidin-3-ylmethyl)piperidine-3-sulfonamide;hydrochloride
PubChem CID120850795
Molecular FormulaC15H32ClN3O3S
Molecular Weight369.96 g/mol
Exact Mass369.19
IUPAC NameN-(2-methoxyethyl)-N-methyl-1-(piperidin-3-ylmethyl)piperidine-3-sulfonamide;hydrochloride
SMILESCOCCN(C)S(=O)(=O)C1CCCN(CC2CCCNC2)C1.Cl
InChIInChI=1S/C15H31N3O3S.ClH/c1-17(9-10-21-2)22(19,20)15-6-4-8-18(13-15)12-14-5-3-7-16-11-14;/h14-16H,3-13H2,1-2H3;1H
InChIKeyXDNJUKNRJBBMNH-UHFFFAOYSA-N
XLogP0.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.96
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 115031072
1-(piperidin-3-ylmethyl)-3-propan-2-ylpiperidine
CID 120848696
N-(cyclopentylmethyl)-N-methylpiperidine-3-sulfonamide
CID 63656754
3-[(3-methylpiperidin-1-yl)methyl]azepane
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3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616
N-ethyl-N-(2-methoxyethyl)-1-piperidin-3-ylmethanesulfonamide
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CID 119931535

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-1-(piperidin-3-ylmethyl)piperidine-3-sulfonamide;hydrochloride?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-1-(piperidin-3-ylmethyl)piperidine-3-sulfonamide;hydrochloride (CID 120850795) is N-(2-methoxyethyl)-N-methyl-1-(piperidin-3-ylmethyl)piperidine-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-1-(piperidin-3-ylmethyl)piperidine-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-1-(piperidin-3-ylmethyl)piperidine-3-sulfonamide;hydrochloride is COCCN(C)S(=O)(=O)C1CCCN(CC2CCCNC2)C1.Cl.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-1-(piperidin-3-ylmethyl)piperidine-3-sulfonamide;hydrochloride?
The InChIKey is XDNJUKNRJBBMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S.ClH/c1-17(9-10-21-2)22(19,20)15-6-4-8-18(13-15)12-14-5-3-7-16-11-14;/h14-16H,3-13H2,1-2H3;1H.
What are the key properties of N-(2-methoxyethyl)-N-methyl-1-(piperidin-3-ylmethyl)piperidine-3-sulfonamide;hydrochloride?
N-(2-methoxyethyl)-N-methyl-1-(piperidin-3-ylmethyl)piperidine-3-sulfonamide;hydrochloride has a molecular weight of 369.96 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-1-(piperidin-3-ylmethyl)piperidine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120850795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).