1-[4-(methylaminomethyl)phenyl]-N-piperidin-1-ylmethanesulfonamide

C14H23N3O2S — CID 106075419

IUPAC1-[4-(methylaminomethyl)phenyl]-N-piperidin-1-ylmethanesulfonamide
SMILESCNCc1ccc(CS(=O)(=O)NN2CCCCC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-15-11-13-5-7-14(8-6-13)12-20(18,19)16-17-9-3-2-4-10-17/h5-8,15-16H,2-4,9-12H2,1H3
InChIKeyVBNKILWGWDWIDR-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.23
Rot. Bonds6

About 1-[4-(methylaminomethyl)phenyl]-N-piperidin-1-ylmethanesulfonamide

1-[4-(methylaminomethyl)phenyl]-N-piperidin-1-ylmethanesulfonamide (PubChem CID 106075419) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[4-(methylaminomethyl)phenyl]-N-piperidin-1-ylmethanesulfonamide.

Molecular Properties

Compound Name1-[4-(methylaminomethyl)phenyl]-N-piperidin-1-ylmethanesulfonamide
PubChem CID106075419
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[4-(methylaminomethyl)phenyl]-N-piperidin-1-ylmethanesulfonamide
SMILESCNCc1ccc(CS(=O)(=O)NN2CCCCC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-15-11-13-5-7-14(8-6-13)12-20(18,19)16-17-9-3-2-4-10-17/h5-8,15-16H,2-4,9-12H2,1H3
InChIKeyVBNKILWGWDWIDR-UHFFFAOYSA-N
XLogP1.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylaminomethyl)phenyl]-N-piperidin-1-ylmethanesulfonamide?
The IUPAC name of 1-[4-(methylaminomethyl)phenyl]-N-piperidin-1-ylmethanesulfonamide (CID 106075419) is 1-[4-(methylaminomethyl)phenyl]-N-piperidin-1-ylmethanesulfonamide.
What is the SMILES notation for 1-[4-(methylaminomethyl)phenyl]-N-piperidin-1-ylmethanesulfonamide?
The canonical SMILES for 1-[4-(methylaminomethyl)phenyl]-N-piperidin-1-ylmethanesulfonamide is CNCc1ccc(CS(=O)(=O)NN2CCCCC2)cc1.
What is the InChIKey of 1-[4-(methylaminomethyl)phenyl]-N-piperidin-1-ylmethanesulfonamide?
The InChIKey is VBNKILWGWDWIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-15-11-13-5-7-14(8-6-13)12-20(18,19)16-17-9-3-2-4-10-17/h5-8,15-16H,2-4,9-12H2,1H3.
What are the key properties of 1-[4-(methylaminomethyl)phenyl]-N-piperidin-1-ylmethanesulfonamide?
1-[4-(methylaminomethyl)phenyl]-N-piperidin-1-ylmethanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylaminomethyl)phenyl]-N-piperidin-1-ylmethanesulfonamide is sourced from PubChem (CID 106075419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).