N-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide

C16H27N3O2S — CID 71989095

IUPACN-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCN(C)c1ccccc1CN1CCCCC1CNS(C)(=O)=O
InChIInChI=1S/C16H27N3O2S/c1-18(2)16-10-5-4-8-14(16)13-19-11-7-6-9-15(19)12-17-22(3,20)21/h4-5,8,10,15,17H,6-7,9,11-13H2,1-3H3
InChIKeyDMCWLGGPDFHESC-UHFFFAOYSA-N
MW325.48 g/mol
LogP1.66
Rot. Bonds6

About N-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide

N-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 71989095) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is N-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID71989095
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC NameN-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCN(C)c1ccccc1CN1CCCCC1CNS(C)(=O)=O
InChIInChI=1S/C16H27N3O2S/c1-18(2)16-10-5-4-8-14(16)13-19-11-7-6-9-15(19)12-17-22(3,20)21/h4-5,8,10,15,17H,6-7,9,11-13H2,1-3H3
InChIKeyDMCWLGGPDFHESC-UHFFFAOYSA-N
XLogP1.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide (CID 71989095) is N-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide is CN(C)c1ccccc1CN1CCCCC1CNS(C)(=O)=O.
What is the InChIKey of N-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is DMCWLGGPDFHESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-18(2)16-10-5-4-8-14(16)13-19-11-7-6-9-15(19)12-17-22(3,20)21/h4-5,8,10,15,17H,6-7,9,11-13H2,1-3H3.
What are the key properties of N-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 325.48 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 71989095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).