1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide

C15H19N3O2S — CID 106030794

IUPAC1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCNCc1cccc(CS(=O)(=O)NCc2cccnc2)c1
InChIInChI=1S/C15H19N3O2S/c1-16-9-13-4-2-5-14(8-13)12-21(19,20)18-11-15-6-3-7-17-10-15/h2-8,10,16,18H,9,11-12H2,1H3
InChIKeyRDHQRVRURZLYJV-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.42
Rot. Bonds7

About 1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide

1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 106030794) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
PubChem CID106030794
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCNCc1cccc(CS(=O)(=O)NCc2cccnc2)c1
InChIInChI=1S/C15H19N3O2S/c1-16-9-13-4-2-5-14(8-13)12-21(19,20)18-11-15-6-3-7-17-10-15/h2-8,10,16,18H,9,11-12H2,1H3
InChIKeyRDHQRVRURZLYJV-UHFFFAOYSA-N
XLogP1.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
1-[3-(methylaminomethyl)phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 106013300
1-[3-(methylaminomethyl)phenyl]-N-(2-methylsulfanylethyl)methanesulfonamide
CID 114141318
N-[2-(dimethylamino)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
CID 106032445
1-[3-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 106410708
1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide
CID 49245759
2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 54973657
5-fluoro-2-(methylaminomethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030781
N-[2-(1H-imidazol-2-yl)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
CID 106085203
N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine
CID 66346653
1-[3-(methylaminomethyl)phenyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 106055642
3-(propylamino)-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 106030719

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of 1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide (CID 106030794) is 1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide is CNCc1cccc(CS(=O)(=O)NCc2cccnc2)c1.
What is the InChIKey of 1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is RDHQRVRURZLYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-16-9-13-4-2-5-14(8-13)12-21(19,20)18-11-15-6-3-7-17-10-15/h2-8,10,16,18H,9,11-12H2,1H3.
What are the key properties of 1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide?
1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 106030794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).