N-[(2-methoxy-3-pyridinyl)methyl]-2-methylpentane-1-sulfonamide

C13H22N2O3S — CID 56789884

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-2-methylpentane-1-sulfonamide
SMILESCCCC(C)CS(=O)(=O)NCc1cccnc1OC
InChIInChI=1S/C13H22N2O3S/c1-4-6-11(2)10-19(16,17)15-9-12-7-5-8-14-13(12)18-3/h5,7-8,11,15H,4,6,9-10H2,1-3H3
InChIKeyOCHBVBYKSSGGDO-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.95
Rot. Bonds8

About N-[(2-methoxy-3-pyridinyl)methyl]-2-methylpentane-1-sulfonamide

N-[(2-methoxy-3-pyridinyl)methyl]-2-methylpentane-1-sulfonamide (PubChem CID 56789884) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-2-methylpentane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-2-methylpentane-1-sulfonamide
PubChem CID56789884
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-2-methylpentane-1-sulfonamide
SMILESCCCC(C)CS(=O)(=O)NCc1cccnc1OC
InChIInChI=1S/C13H22N2O3S/c1-4-6-11(2)10-19(16,17)15-9-12-7-5-8-14-13(12)18-3/h5,7-8,11,15H,4,6,9-10H2,1-3H3
InChIKeyOCHBVBYKSSGGDO-UHFFFAOYSA-N
XLogP1.95
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-methylpentane-1-sulfonamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-methylpentane-1-sulfonamide (CID 56789884) is N-[(2-methoxy-3-pyridinyl)methyl]-2-methylpentane-1-sulfonamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-2-methylpentane-1-sulfonamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-2-methylpentane-1-sulfonamide is CCCC(C)CS(=O)(=O)NCc1cccnc1OC.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-2-methylpentane-1-sulfonamide?
The InChIKey is OCHBVBYKSSGGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-6-11(2)10-19(16,17)15-9-12-7-5-8-14-13(12)18-3/h5,7-8,11,15H,4,6,9-10H2,1-3H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-2-methylpentane-1-sulfonamide?
N-[(2-methoxy-3-pyridinyl)methyl]-2-methylpentane-1-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-2-methylpentane-1-sulfonamide is sourced from PubChem (CID 56789884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).