1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide

C17H23N3O2S — CID 86816133

IUPAC1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
SMILESCc1cccc(NCc2ccccc2CS(=O)(=O)NC(C)C)n1
InChIInChI=1S/C17H23N3O2S/c1-13(2)20-23(21,22)12-16-9-5-4-8-15(16)11-18-17-10-6-7-14(3)19-17/h4-10,13,20H,11-12H2,1-3H3,(H,18,19)
InChIKeyMLGVOECRVZZMFX-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.83
Rot. Bonds7

About 1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide

1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide (PubChem CID 86816133) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
PubChem CID86816133
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
SMILESCc1cccc(NCc2ccccc2CS(=O)(=O)NC(C)C)n1
InChIInChI=1S/C17H23N3O2S/c1-13(2)20-23(21,22)12-16-9-5-4-8-15(16)11-18-17-10-6-7-14(3)19-17/h4-10,13,20H,11-12H2,1-3H3,(H,18,19)
InChIKeyMLGVOECRVZZMFX-UHFFFAOYSA-N
XLogP2.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide (CID 86816133) is 1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide is Cc1cccc(NCc2ccccc2CS(=O)(=O)NC(C)C)n1.
What is the InChIKey of 1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
The InChIKey is MLGVOECRVZZMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-13(2)20-23(21,22)12-16-9-5-4-8-15(16)11-18-17-10-6-7-14(3)19-17/h4-10,13,20H,11-12H2,1-3H3,(H,18,19).
What are the key properties of 1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 333.46 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 86816133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).