N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine

C15H24N2O2S — CID 95729302

IUPACN,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine
SMILESCN(C)Cc1ccc([C@H]2CCCCN2S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O2S/c1-16(2)12-13-7-9-14(10-8-13)15-6-4-5-11-17(15)20(3,18)19/h7-10,15H,4-6,11-12H2,1-3H3/t15-/m1/s1
InChIKeyJJIZWGQVPLERFM-OAHLLOKOSA-N
MW296.44 g/mol
LogP2.23
Rot. Bonds4

About N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine

N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine (PubChem CID 95729302) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine
PubChem CID95729302
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine
SMILESCN(C)Cc1ccc([C@H]2CCCCN2S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O2S/c1-16(2)12-13-7-9-14(10-8-13)15-6-4-5-11-17(15)20(3,18)19/h7-10,15H,4-6,11-12H2,1-3H3/t15-/m1/s1
InChIKeyJJIZWGQVPLERFM-OAHLLOKOSA-N
XLogP2.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2R)-1-cyclopropylsulfonylpiperidin-2-yl]phenyl]-N,N-dimethylmethanamine
CID 95728051
(2S)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 95375103
2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266
(2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine
CID 51694759
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56873767
[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 120874759
5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
CID 56895270
N,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine
CID 95896839
[(2S)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 97190267
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70706627
(2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine
CID 95724978
1-ethyl-4-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]sulfonylpiperazine
CID 95724807

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine (CID 95729302) is N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine is CN(C)Cc1ccc([C@H]2CCCCN2S(C)(=O)=O)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine?
The InChIKey is JJIZWGQVPLERFM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-16(2)12-13-7-9-14(10-8-13)15-6-4-5-11-17(15)20(3,18)19/h7-10,15H,4-6,11-12H2,1-3H3/t15-/m1/s1.
What are the key properties of N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine?
N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine has a molecular weight of 296.44 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine is sourced from PubChem (CID 95729302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).