[2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine

C15H24N2O2S — CID 62937783

IUPAC[2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine
SMILESCC1(C)CCN(S(=O)(=O)Cc2ccccc2CN)CC1
InChIInChI=1S/C15H24N2O2S/c1-15(2)7-9-17(10-8-15)20(18,19)12-14-6-4-3-5-13(14)11-16/h3-6H,7-12,16H2,1-2H3
InChIKeyDRLJOZFLOAAKMV-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.10
Rot. Bonds4

About [2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine

[2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine (PubChem CID 62937783) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is [2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine
PubChem CID62937783
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name[2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine
SMILESCC1(C)CCN(S(=O)(=O)Cc2ccccc2CN)CC1
InChIInChI=1S/C15H24N2O2S/c1-15(2)7-9-17(10-8-15)20(18,19)12-14-6-4-3-5-13(14)11-16/h3-6H,7-12,16H2,1-2H3
InChIKeyDRLJOZFLOAAKMV-UHFFFAOYSA-N
XLogP2.10
TPSA63.40 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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine
CID 110738679
[2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride
CID 71757298
2-[4-[[2-(aminomethyl)phenyl]methylsulfonyl]piperazin-1-yl]ethanol
CID 43579023
[2-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 103532632
1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62886268
2-[2-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 81322025
[1-[(2-fluorophenyl)methylsulfonyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777581
2-[(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylmethyl]benzenecarbothioamide
CID 103356140
1-[(2-cyanophenyl)methylsulfonyl]-4-methylpiperidine-4-carbonitrile
CID 103990260
[2-(methylsulfonylmethyl)phenyl]methanamine
CID 64697035
[2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 63159552
1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide
CID 113485385

Frequently Asked Questions

What is the IUPAC name of [2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine?
The IUPAC name of [2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine (CID 62937783) is [2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine.
What is the SMILES notation for [2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine?
The canonical SMILES for [2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine is CC1(C)CCN(S(=O)(=O)Cc2ccccc2CN)CC1.
What is the InChIKey of [2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine?
The InChIKey is DRLJOZFLOAAKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(2)7-9-17(10-8-15)20(18,19)12-14-6-4-3-5-13(14)11-16/h3-6H,7-12,16H2,1-2H3.
What are the key properties of [2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine?
[2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine has a molecular weight of 296.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine is sourced from PubChem (CID 62937783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).