N-[5-[butyl(methyl)amino]-2-pyridinyl]methanesulfonamide

C11H19N3O2S — CID 113030576

IUPACN-[5-[butyl(methyl)amino]-2-pyridinyl]methanesulfonamide
SMILESCCCCN(C)c1ccc(NS(C)(=O)=O)nc1
InChIInChI=1S/C11H19N3O2S/c1-4-5-8-14(2)10-6-7-11(12-9-10)13-17(3,15)16/h6-7,9H,4-5,8H2,1-3H3,(H,12,13)
InChIKeyOFBODJTUUJZWAZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.69
Rot. Bonds6

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

N-[5-[butyl(methyl)amino]-2-pyridinyl]methanesulfonamide (PubChem CID 113030576) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[5-[butyl(methyl)amino]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[butyl(methyl)amino]-2-pyridinyl]methanesulfonamide
PubChem CID113030576
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-[5-[butyl(methyl)amino]-2-pyridinyl]methanesulfonamide
SMILESCCCCN(C)c1ccc(NS(C)(=O)=O)nc1
InChIInChI=1S/C11H19N3O2S/c1-4-5-8-14(2)10-6-7-11(12-9-10)13-17(3,15)16/h6-7,9H,4-5,8H2,1-3H3,(H,12,13)
InChIKeyOFBODJTUUJZWAZ-UHFFFAOYSA-N
XLogP1.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[butyl(methyl)amino]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[butyl(methyl)amino]-2-pyridinyl]methanesulfonamide (CID 113030576) is N-[5-[butyl(methyl)amino]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[butyl(methyl)amino]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[butyl(methyl)amino]-2-pyridinyl]methanesulfonamide is CCCCN(C)c1ccc(NS(C)(=O)=O)nc1.
What is the InChIKey of N-[5-[butyl(methyl)amino]-2-pyridinyl]methanesulfonamide?
The InChIKey is OFBODJTUUJZWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-5-8-14(2)10-6-7-11(12-9-10)13-17(3,15)16/h6-7,9H,4-5,8H2,1-3H3,(H,12,13).
What are the key properties of N-[5-[butyl(methyl)amino]-2-pyridinyl]methanesulfonamide?
N-[5-[butyl(methyl)amino]-2-pyridinyl]methanesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[butyl(methyl)amino]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 113030576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).