N-[(2-methoxy-3-pyridinyl)methyl]-N-methylethanesulfonamide

C10H16N2O3S — CID 53185041

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)Cc1cccnc1OC
InChIInChI=1S/C10H16N2O3S/c1-4-16(13,14)12(2)8-9-6-5-7-11-10(9)15-3/h5-7H,4,8H2,1-3H3
InChIKeyOJIKTKVDMKWQCU-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.87
Rot. Bonds5

About N-[(2-methoxy-3-pyridinyl)methyl]-N-methylethanesulfonamide

N-[(2-methoxy-3-pyridinyl)methyl]-N-methylethanesulfonamide (PubChem CID 53185041) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-N-methylethanesulfonamide
PubChem CID53185041
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)Cc1cccnc1OC
InChIInChI=1S/C10H16N2O3S/c1-4-16(13,14)12(2)8-9-6-5-7-11-10(9)15-3/h5-7H,4,8H2,1-3H3
InChIKeyOJIKTKVDMKWQCU-UHFFFAOYSA-N
XLogP0.87
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-N-methylethanesulfonamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-N-methylethanesulfonamide (CID 53185041) is N-[(2-methoxy-3-pyridinyl)methyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)Cc1cccnc1OC.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-N-methylethanesulfonamide?
The InChIKey is OJIKTKVDMKWQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-4-16(13,14)12(2)8-9-6-5-7-11-10(9)15-3/h5-7H,4,8H2,1-3H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-N-methylethanesulfonamide?
N-[(2-methoxy-3-pyridinyl)methyl]-N-methylethanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-N-methylethanesulfonamide is sourced from PubChem (CID 53185041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).