N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride

C14H30ClN3O2S — CID 119990742

IUPACN-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(S(=O)(=O)N2CCC(C)CC2)CC1.Cl
InChIInChI=1S/C14H29N3O2S.ClH/c1-3-15-12-14-6-10-17(11-7-14)20(18,19)16-8-4-13(2)5-9-16;/h13-15H,3-12H2,1-2H3;1H
InChIKeyPVKBQWHHIASURT-UHFFFAOYSA-N
MW339.93 g/mol
LogP1.71
Rot. Bonds5

About N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride

N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride (PubChem CID 119990742) has the molecular formula C14H30ClN3O2S and a molecular weight of 339.93 g/mol. Its IUPAC name is N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
PubChem CID119990742
Molecular FormulaC14H30ClN3O2S
Molecular Weight339.93 g/mol
Exact Mass339.17
IUPAC NameN-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(S(=O)(=O)N2CCC(C)CC2)CC1.Cl
InChIInChI=1S/C14H29N3O2S.ClH/c1-3-15-12-14-6-10-17(11-7-14)20(18,19)16-8-4-13(2)5-9-16;/h13-15H,3-12H2,1-2H3;1H
InChIKeyPVKBQWHHIASURT-UHFFFAOYSA-N
XLogP1.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.93
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990642
N-[[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119998792
N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]ethanamine
CID 106317129
N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 63879312
N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878962
N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride
CID 119648333
N-[[1-(1-methoxypropan-2-ylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990322
N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide
CID 131907956
N-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990721
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride (CID 119990742) is N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride is CCNCC1CCN(S(=O)(=O)N2CCC(C)CC2)CC1.Cl.
What is the InChIKey of N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride?
The InChIKey is PVKBQWHHIASURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S.ClH/c1-3-15-12-14-6-10-17(11-7-14)20(18,19)16-8-4-13(2)5-9-16;/h13-15H,3-12H2,1-2H3;1H.
What are the key properties of N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride?
N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride has a molecular weight of 339.93 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 119990742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).