N-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine

C14H29N3O2S — CID 63852791

IUPACN-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine
SMILESCNC(C)C1CCCN(S(=O)(=O)N2CCC(C)CC2)C1
InChIInChI=1S/C14H29N3O2S/c1-12-6-9-16(10-7-12)20(18,19)17-8-4-5-14(11-17)13(2)15-3/h12-15H,4-11H2,1-3H3
InChIKeyVPSKXMPVYARIPJ-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.28
Rot. Bonds4

About N-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine

N-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine (PubChem CID 63852791) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine
PubChem CID63852791
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine
SMILESCNC(C)C1CCCN(S(=O)(=O)N2CCC(C)CC2)C1
InChIInChI=1S/C14H29N3O2S/c1-12-6-9-16(10-7-12)20(18,19)17-8-4-5-14(11-17)13(2)15-3/h12-15H,4-11H2,1-3H3
InChIKeyVPSKXMPVYARIPJ-UHFFFAOYSA-N
XLogP1.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine
CID 63852792
N-tert-butyl-3-[1-(methylamino)ethyl]piperidine-1-sulfonamide
CID 114803124
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547
(3S)-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 94340323
[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-3-yl]methanediol
CID 176895165
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 47154847
3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine
CID 114507280
3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine
CID 63400764
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 115302221
N-methyl-1-piperidin-1-ylsulfonylpiperidin-4-amine
CID 60819803
(3R)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962874
3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid
CID 81043263

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine (CID 63852791) is N-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine is CNC(C)C1CCCN(S(=O)(=O)N2CCC(C)CC2)C1.
What is the InChIKey of N-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine?
The InChIKey is VPSKXMPVYARIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-12-6-9-16(10-7-12)20(18,19)17-8-4-5-14(11-17)13(2)15-3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine?
N-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine has a molecular weight of 303.47 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine is sourced from PubChem (CID 63852791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).