N,N-dimethyl-1-[4-[[5-(methylsulfonylmethyl)-2-pyridinyl]oxy]phenyl]methanamine

C16H20N2O3S — CID 56723185

IUPACN,N-dimethyl-1-[4-[[5-(methylsulfonylmethyl)-2-pyridinyl]oxy]phenyl]methanamine
SMILESCN(C)Cc1ccc(Oc2ccc(CS(C)(=O)=O)cn2)cc1
InChIInChI=1S/C16H20N2O3S/c1-18(2)11-13-4-7-15(8-5-13)21-16-9-6-14(10-17-16)12-22(3,19)20/h4-10H,11-12H2,1-3H3
InChIKeyBSYVASUDNBHBLN-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.48
Rot. Bonds6

About N,N-dimethyl-1-[4-[[5-(methylsulfonylmethyl)-2-pyridinyl]oxy]phenyl]methanamine

N,N-dimethyl-1-[4-[[5-(methylsulfonylmethyl)-2-pyridinyl]oxy]phenyl]methanamine (PubChem CID 56723185) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[[5-(methylsulfonylmethyl)-2-pyridinyl]oxy]phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[[5-(methylsulfonylmethyl)-2-pyridinyl]oxy]phenyl]methanamine
PubChem CID56723185
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN,N-dimethyl-1-[4-[[5-(methylsulfonylmethyl)-2-pyridinyl]oxy]phenyl]methanamine
SMILESCN(C)Cc1ccc(Oc2ccc(CS(C)(=O)=O)cn2)cc1
InChIInChI=1S/C16H20N2O3S/c1-18(2)11-13-4-7-15(8-5-13)21-16-9-6-14(10-17-16)12-22(3,19)20/h4-10H,11-12H2,1-3H3
InChIKeyBSYVASUDNBHBLN-UHFFFAOYSA-N
XLogP2.48
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[[5-(methylsulfonylmethyl)-2-pyridinyl]oxy]phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-[[5-(methylsulfonylmethyl)-2-pyridinyl]oxy]phenyl]methanamine (CID 56723185) is N,N-dimethyl-1-[4-[[5-(methylsulfonylmethyl)-2-pyridinyl]oxy]phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[[5-(methylsulfonylmethyl)-2-pyridinyl]oxy]phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[[5-(methylsulfonylmethyl)-2-pyridinyl]oxy]phenyl]methanamine is CN(C)Cc1ccc(Oc2ccc(CS(C)(=O)=O)cn2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-[[5-(methylsulfonylmethyl)-2-pyridinyl]oxy]phenyl]methanamine?
The InChIKey is BSYVASUDNBHBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-18(2)11-13-4-7-15(8-5-13)21-16-9-6-14(10-17-16)12-22(3,19)20/h4-10H,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-[[5-(methylsulfonylmethyl)-2-pyridinyl]oxy]phenyl]methanamine?
N,N-dimethyl-1-[4-[[5-(methylsulfonylmethyl)-2-pyridinyl]oxy]phenyl]methanamine has a molecular weight of 320.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[[5-(methylsulfonylmethyl)-2-pyridinyl]oxy]phenyl]methanamine is sourced from PubChem (CID 56723185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).