2-methyl-N-(pyridin-4-ylmethyl)pentane-1-sulfonamide

C12H20N2O2S — CID 75437965

IUPAC2-methyl-N-(pyridin-4-ylmethyl)pentane-1-sulfonamide
SMILESCCCC(C)CS(=O)(=O)NCc1ccncc1
InChIInChI=1S/C12H20N2O2S/c1-3-4-11(2)10-17(15,16)14-9-12-5-7-13-8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyUFEAUDIJOAOVDZ-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.94
Rot. Bonds7

About 2-methyl-N-(pyridin-4-ylmethyl)pentane-1-sulfonamide

2-methyl-N-(pyridin-4-ylmethyl)pentane-1-sulfonamide (PubChem CID 75437965) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-4-ylmethyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(pyridin-4-ylmethyl)pentane-1-sulfonamide
PubChem CID75437965
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-methyl-N-(pyridin-4-ylmethyl)pentane-1-sulfonamide
SMILESCCCC(C)CS(=O)(=O)NCc1ccncc1
InChIInChI=1S/C12H20N2O2S/c1-3-4-11(2)10-17(15,16)14-9-12-5-7-13-8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyUFEAUDIJOAOVDZ-UHFFFAOYSA-N
XLogP1.94
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-4-ylmethyl)pentane-1-sulfonamide?
The IUPAC name of 2-methyl-N-(pyridin-4-ylmethyl)pentane-1-sulfonamide (CID 75437965) is 2-methyl-N-(pyridin-4-ylmethyl)pentane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-(pyridin-4-ylmethyl)pentane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-(pyridin-4-ylmethyl)pentane-1-sulfonamide is CCCC(C)CS(=O)(=O)NCc1ccncc1.
What is the InChIKey of 2-methyl-N-(pyridin-4-ylmethyl)pentane-1-sulfonamide?
The InChIKey is UFEAUDIJOAOVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-4-11(2)10-17(15,16)14-9-12-5-7-13-8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3.
What are the key properties of 2-methyl-N-(pyridin-4-ylmethyl)pentane-1-sulfonamide?
2-methyl-N-(pyridin-4-ylmethyl)pentane-1-sulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-4-ylmethyl)pentane-1-sulfonamide is sourced from PubChem (CID 75437965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).