N-methoxy-N-[(5-methyl-2-pyridinyl)methyl]methanesulfonamide

C9H14N2O3S — CID 123705598

IUPACN-methoxy-N-[(5-methyl-2-pyridinyl)methyl]methanesulfonamide
SMILESCON(Cc1ccc(C)cn1)S(C)(=O)=O
InChIInChI=1S/C9H14N2O3S/c1-8-4-5-9(10-6-8)7-11(14-2)15(3,12)13/h4-6H,7H2,1-3H3
InChIKeyNIFYXWPEQHZQDQ-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.71
Rot. Bonds4

About N-methoxy-N-[(5-methyl-2-pyridinyl)methyl]methanesulfonamide

N-methoxy-N-[(5-methyl-2-pyridinyl)methyl]methanesulfonamide (PubChem CID 123705598) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-methoxy-N-[(5-methyl-2-pyridinyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methoxy-N-[(5-methyl-2-pyridinyl)methyl]methanesulfonamide
PubChem CID123705598
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN-methoxy-N-[(5-methyl-2-pyridinyl)methyl]methanesulfonamide
SMILESCON(Cc1ccc(C)cn1)S(C)(=O)=O
InChIInChI=1S/C9H14N2O3S/c1-8-4-5-9(10-6-8)7-11(14-2)15(3,12)13/h4-6H,7H2,1-3H3
InChIKeyNIFYXWPEQHZQDQ-UHFFFAOYSA-N
XLogP0.71
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-[(5-methyl-2-pyridinyl)methyl]methanesulfonamide?
The IUPAC name of N-methoxy-N-[(5-methyl-2-pyridinyl)methyl]methanesulfonamide (CID 123705598) is N-methoxy-N-[(5-methyl-2-pyridinyl)methyl]methanesulfonamide.
What is the SMILES notation for N-methoxy-N-[(5-methyl-2-pyridinyl)methyl]methanesulfonamide?
The canonical SMILES for N-methoxy-N-[(5-methyl-2-pyridinyl)methyl]methanesulfonamide is CON(Cc1ccc(C)cn1)S(C)(=O)=O.
What is the InChIKey of N-methoxy-N-[(5-methyl-2-pyridinyl)methyl]methanesulfonamide?
The InChIKey is NIFYXWPEQHZQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-8-4-5-9(10-6-8)7-11(14-2)15(3,12)13/h4-6H,7H2,1-3H3.
What are the key properties of N-methoxy-N-[(5-methyl-2-pyridinyl)methyl]methanesulfonamide?
N-methoxy-N-[(5-methyl-2-pyridinyl)methyl]methanesulfonamide has a molecular weight of 230.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-[(5-methyl-2-pyridinyl)methyl]methanesulfonamide is sourced from PubChem (CID 123705598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).