N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine

C15H24N2O2S — CID 43506697

IUPACN-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine
SMILESCNC(C)c1cccc(S(=O)(=O)N2CCCCC2C)c1
InChIInChI=1S/C15H24N2O2S/c1-12-7-4-5-10-17(12)20(18,19)15-9-6-8-14(11-15)13(2)16-3/h6,8-9,11-13,16H,4-5,7,10H2,1-3H3
InChIKeyISGDXHVVKSHMGY-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.53
Rot. Bonds4

About N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine

N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine (PubChem CID 43506697) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine
PubChem CID43506697
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine
SMILESCNC(C)c1cccc(S(=O)(=O)N2CCCCC2C)c1
InChIInChI=1S/C15H24N2O2S/c1-12-7-4-5-10-17(12)20(18,19)15-9-6-8-14(11-15)13(2)16-3/h6,8-9,11-13,16H,4-5,7,10H2,1-3H3
InChIKeyISGDXHVVKSHMGY-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
CID 54882423
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanol
CID 54882754
[1-[3-[1-(methylamino)ethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 61409691
N-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
CID 54882434
1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60873415
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
(2R)-2-methyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
CID 95756864
3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 60973434
3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline
CID 93391248
2-(2-methylpiperidin-1-yl)sulfonylanthracene-9,10-dione
CID 3801619
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2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine (CID 43506697) is N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine is CNC(C)c1cccc(S(=O)(=O)N2CCCCC2C)c1.
What is the InChIKey of N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine?
The InChIKey is ISGDXHVVKSHMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-7-4-5-10-17(12)20(18,19)15-9-6-8-14(11-15)13(2)16-3/h6,8-9,11-13,16H,4-5,7,10H2,1-3H3.
What are the key properties of N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine?
N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine has a molecular weight of 296.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]ethanamine is sourced from PubChem (CID 43506697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).