N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C13H16N4O3S — CID 106402225

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc3c(c2)CCCN3)no1
InChIInChI=1S/C13H16N4O3S/c1-9-16-13(17-20-9)8-15-21(18,19)11-4-5-12-10(7-11)3-2-6-14-12/h4-5,7,14-15H,2-3,6,8H2,1H3
InChIKeyGFXSQWJVFQYKNB-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.21
Rot. Bonds4

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide (PubChem CID 106402225) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
PubChem CID106402225
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc3c(c2)CCCN3)no1
InChIInChI=1S/C13H16N4O3S/c1-9-16-13(17-20-9)8-15-21(18,19)11-4-5-12-10(7-11)3-2-6-14-12/h4-5,7,14-15H,2-3,6,8H2,1H3
InChIKeyGFXSQWJVFQYKNB-UHFFFAOYSA-N
XLogP1.21
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide with MolForge

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 106402227
N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 62056573
N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 63303324
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide
CID 83026660
N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43363863
1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 46972328
2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-4-sulfonamide
CID 114184093
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
CID 106394862
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 65042936
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 106419919
4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106402266
6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 82044394

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide (CID 106402225) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide is Cc1nc(CNS(=O)(=O)c2ccc3c(c2)CCCN3)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The InChIKey is GFXSQWJVFQYKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-9-16-13(17-20-9)8-15-21(18,19)11-4-5-12-10(7-11)3-2-6-14-12/h4-5,7,14-15H,2-3,6,8H2,1H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide is sourced from PubChem (CID 106402225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).