4-[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]butanamide

C14H21N3O4S — CID 68995946

IUPAC4-[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]butanamide
SMILESNC(=O)CCCc1ccc(S(=O)(=O)NC2CCOCC2)nc1
InChIInChI=1S/C14H21N3O4S/c15-13(18)3-1-2-11-4-5-14(16-10-11)22(19,20)17-12-6-8-21-9-7-12/h4-5,10,12,17H,1-3,6-9H2,(H2,15,18)
InChIKeyIQJFKLCTHLAKRE-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.35
Rot. Bonds7

About 4-[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]butanamide

4-[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]butanamide (PubChem CID 68995946) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name4-[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]butanamide
PubChem CID68995946
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name4-[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]butanamide
SMILESNC(=O)CCCc1ccc(S(=O)(=O)NC2CCOCC2)nc1
InChIInChI=1S/C14H21N3O4S/c15-13(18)3-1-2-11-4-5-14(16-10-11)22(19,20)17-12-6-8-21-9-7-12/h4-5,10,12,17H,1-3,6-9H2,(H2,15,18)
InChIKeyIQJFKLCTHLAKRE-UHFFFAOYSA-N
XLogP0.35
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106058846
5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide
CID 106000954
1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278129
N-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106075164
5-(hydroxymethyl)-N-(3-methylcyclopentyl)pyridine-2-sulfonamide
CID 114551682
5-(aminomethyl)-N-(3-methylcyclopentyl)pyridine-2-sulfonamide
CID 114552024
5-(hydroxymethyl)-N-(2-methyloxolan-3-yl)pyridine-2-sulfonamide
CID 114135348
[6-(cyclopropylsulfamoyl)-3-pyridinyl]boronic acid
CID 70937541
5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide
CID 106084462
6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63874696
5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide
CID 60910848
5-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-2-sulfonamide
CID 106002921

Frequently Asked Questions

What is the IUPAC name of 4-[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]butanamide?
The IUPAC name of 4-[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]butanamide (CID 68995946) is 4-[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]butanamide.
What is the SMILES notation for 4-[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]butanamide?
The canonical SMILES for 4-[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]butanamide is NC(=O)CCCc1ccc(S(=O)(=O)NC2CCOCC2)nc1.
What is the InChIKey of 4-[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]butanamide?
The InChIKey is IQJFKLCTHLAKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c15-13(18)3-1-2-11-4-5-14(16-10-11)22(19,20)17-12-6-8-21-9-7-12/h4-5,10,12,17H,1-3,6-9H2,(H2,15,18).
What are the key properties of 4-[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]butanamide?
4-[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]butanamide has a molecular weight of 327.41 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]butanamide is sourced from PubChem (CID 68995946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).