N-(5-methyl-2-pyridinyl)butane-1-sulfonamide

C10H16N2O2S — CID 2094153

IUPACN-(5-methyl-2-pyridinyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(C)cn1
InChIInChI=1S/C10H16N2O2S/c1-3-4-7-15(13,14)12-10-6-5-9(2)8-11-10/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)
InChIKeyMLDFUQFETWBRAL-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.93
Rot. Bonds5

About N-(5-methyl-2-pyridinyl)butane-1-sulfonamide

N-(5-methyl-2-pyridinyl)butane-1-sulfonamide (PubChem CID 2094153) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)butane-1-sulfonamide
PubChem CID2094153
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(5-methyl-2-pyridinyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(C)cn1
InChIInChI=1S/C10H16N2O2S/c1-3-4-7-15(13,14)12-10-6-5-9(2)8-11-10/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)
InChIKeyMLDFUQFETWBRAL-UHFFFAOYSA-N
XLogP1.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)butane-1-sulfonamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)butane-1-sulfonamide (CID 2094153) is N-(5-methyl-2-pyridinyl)butane-1-sulfonamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)butane-1-sulfonamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(C)cn1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)butane-1-sulfonamide?
The InChIKey is MLDFUQFETWBRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-4-7-15(13,14)12-10-6-5-9(2)8-11-10/h5-6,8H,3-4,7H2,1-2H3,(H,11,12).
What are the key properties of N-(5-methyl-2-pyridinyl)butane-1-sulfonamide?
N-(5-methyl-2-pyridinyl)butane-1-sulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)butane-1-sulfonamide is sourced from PubChem (CID 2094153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).