[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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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).