N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide

C12H17N5O3S — CID 106407859

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)NCCc2ncno2)ccn1
InChIInChI=1S/C12H17N5O3S/c1-2-5-13-11-8-10(3-6-14-11)21(18,19)17-7-4-12-15-9-16-20-12/h3,6,8-9,17H,2,4-5,7H2,1H3,(H,13,14)
InChIKeyMLTOQWJCCPSIHD-UHFFFAOYSA-N
MW311.37 g/mol
LogP0.81
Rot. Bonds8

About N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide (PubChem CID 106407859) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
PubChem CID106407859
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)NCCc2ncno2)ccn1
InChIInChI=1S/C12H17N5O3S/c1-2-5-13-11-8-10(3-6-14-11)21(18,19)17-7-4-12-15-9-16-20-12/h3,6,8-9,17H,2,4-5,7H2,1H3,(H,13,14)
InChIKeyMLTOQWJCCPSIHD-UHFFFAOYSA-N
XLogP0.81
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-sulfonamide
CID 106401561
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407971
6-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106407903
N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide
CID 62159155
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106376666
2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide
CID 62148405
3-(aminomethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106411175
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 103823879
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide
CID 106403815
4-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106402341
N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62151053
N-(1,4-dioxan-2-ylmethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62147420

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide (CID 106407859) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide is CCCNc1cc(S(=O)(=O)NCCc2ncno2)ccn1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide?
The InChIKey is MLTOQWJCCPSIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S/c1-2-5-13-11-8-10(3-6-14-11)21(18,19)17-7-4-12-15-9-16-20-12/h3,6,8-9,17H,2,4-5,7H2,1H3,(H,13,14).
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide has a molecular weight of 311.37 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 106407859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).