N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide

C15H17N3O4S — CID 128995583

IUPACN-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NCC1CCc2nccn2C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H17N3O4S/c19-23(20,12-2-3-13-14(7-12)22-10-21-13)17-8-11-1-4-15-16-5-6-18(15)9-11/h2-3,5-7,11,17H,1,4,8-10H2
InChIKeyOEYZVVKRQLCGDH-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.15
Rot. Bonds4

About N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide

N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide (PubChem CID 128995583) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide
PubChem CID128995583
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NCC1CCc2nccn2C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H17N3O4S/c19-23(20,12-2-3-13-14(7-12)22-10-21-13)17-8-11-1-4-15-16-5-6-18(15)9-11/h2-3,5-7,11,17H,1,4,8-10H2
InChIKeyOEYZVVKRQLCGDH-UHFFFAOYSA-N
XLogP1.15
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide with MolForge

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Related Compounds

2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128966223
4-chloro-3-cyano-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide
CID 129338183
7-chloro-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128995589
3-ethyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 129340913
(2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129327879
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide
CID 128995590
5-bromo-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-3-sulfonamide
CID 128965320
(2S)-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129342004
1-(1,2-benzoxazol-3-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide
CID 128967815
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110413537
(2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide
CID 129472884
N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47203478

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide (CID 128995583) is N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide is O=S(=O)(NCC1CCc2nccn2C1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide?
The InChIKey is OEYZVVKRQLCGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c19-23(20,12-2-3-13-14(7-12)22-10-21-13)17-8-11-1-4-15-16-5-6-18(15)9-11/h2-3,5-7,11,17H,1,4,8-10H2.
What are the key properties of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide?
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide has a molecular weight of 335.39 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 128995583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).