N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylbutane-1-sulfonamide

C13H22N2O3S — CID 53184970

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)Cc1cccnc1OCC
InChIInChI=1S/C13H22N2O3S/c1-4-6-10-19(16,17)15(3)11-12-8-7-9-14-13(12)18-5-2/h7-9H,4-6,10-11H2,1-3H3
InChIKeyBLVKZDWSVSLOPI-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.04
Rot. Bonds8

About N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylbutane-1-sulfonamide

N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylbutane-1-sulfonamide (PubChem CID 53184970) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-N-methylbutane-1-sulfonamide
PubChem CID53184970
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)Cc1cccnc1OCC
InChIInChI=1S/C13H22N2O3S/c1-4-6-10-19(16,17)15(3)11-12-8-7-9-14-13(12)18-5-2/h7-9H,4-6,10-11H2,1-3H3
InChIKeyBLVKZDWSVSLOPI-UHFFFAOYSA-N
XLogP2.04
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylbutane-1-sulfonamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylbutane-1-sulfonamide (CID 53184970) is N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylbutane-1-sulfonamide is CCCCS(=O)(=O)N(C)Cc1cccnc1OCC.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylbutane-1-sulfonamide?
The InChIKey is BLVKZDWSVSLOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-6-10-19(16,17)15(3)11-12-8-7-9-14-13(12)18-5-2/h7-9H,4-6,10-11H2,1-3H3.
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylbutane-1-sulfonamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylbutane-1-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 2.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 53184970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).