N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride

C13H30ClN3O4S — CID 119978540

IUPACN,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)N(CCOC)CCOC)CC1.Cl
InChIInChI=1S/C13H29N3O4S.ClH/c1-14-12-13-4-6-15(7-5-13)21(17,18)16(8-10-19-2)9-11-20-3;/h13-14H,4-12H2,1-3H3;1H
InChIKeyNJDULAPONONOQM-UHFFFAOYSA-N
MW359.92 g/mol
LogP0.18
Rot. Bonds10

About N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride

N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride (PubChem CID 119978540) has the molecular formula C13H30ClN3O4S and a molecular weight of 359.92 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
PubChem CID119978540
Molecular FormulaC13H30ClN3O4S
Molecular Weight359.92 g/mol
Exact Mass359.16
IUPAC NameN,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)N(CCOC)CCOC)CC1.Cl
InChIInChI=1S/C13H29N3O4S.ClH/c1-14-12-13-4-6-15(7-5-13)21(17,18)16(8-10-19-2)9-11-20-3;/h13-14H,4-12H2,1-3H3;1H
InChIKeyNJDULAPONONOQM-UHFFFAOYSA-N
XLogP0.18
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.92
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide
CID 119990745
4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide;hydrochloride
CID 119978104
N,N-diethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 63248937
4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide
CID 119978105
3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 119972257
1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 63248936
4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 103340728
4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 103340553
1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977573
N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106092792
N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide
CID 115754309
1-[1-[4-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978169

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride?
The IUPAC name of N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride (CID 119978540) is N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride?
The canonical SMILES for N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride is CNCC1CCN(S(=O)(=O)N(CCOC)CCOC)CC1.Cl.
What is the InChIKey of N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride?
The InChIKey is NJDULAPONONOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O4S.ClH/c1-14-12-13-4-6-15(7-5-13)21(17,18)16(8-10-19-2)9-11-20-3;/h13-14H,4-12H2,1-3H3;1H.
What are the key properties of N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride?
N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride has a molecular weight of 359.92 g/mol, XLogP of 0.18, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119978540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).