N-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine

C12H22N4O2S — CID 55256669

IUPACN-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
SMILESCNC(C)C1CCCCN1S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H22N4O2S/c1-10(13-2)11-6-4-5-7-16(11)19(17,18)12-8-15(3)9-14-12/h8-11,13H,4-7H2,1-3H3
InChIKeyAGDGJTPEXIBQAS-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.57
Rot. Bonds4

About N-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine

N-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine (PubChem CID 55256669) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
PubChem CID55256669
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
SMILESCNC(C)C1CCCCN1S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H22N4O2S/c1-10(13-2)11-6-4-5-7-16(11)19(17,18)12-8-15(3)9-14-12/h8-11,13H,4-7H2,1-3H3
InChIKeyAGDGJTPEXIBQAS-UHFFFAOYSA-N
XLogP0.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
CID 63852803
1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine
CID 55256671
2-(2-bromoethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80671908
ethyl 1-(1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate
CID 20958581
1-(1-methylimidazol-4-yl)sulfonyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 71997276
N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine
CID 102690331
(2S)-1-(1-methylimidazol-4-yl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95824716
N,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 127245167
N-methyl-2-[1-(methylamino)ethyl]piperidine-1-sulfonamide
CID 114803152
1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
CID 63854549
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124998979
2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 56918990

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine (CID 55256669) is N-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine is CNC(C)C1CCCCN1S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine?
The InChIKey is AGDGJTPEXIBQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10(13-2)11-6-4-5-7-16(11)19(17,18)12-8-15(3)9-14-12/h8-11,13H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine?
N-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine has a molecular weight of 286.40 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine is sourced from PubChem (CID 55256669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).