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

C9H18N4O3S — CID 114185436

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NCCc1ncno1
InChIInChI=1S/C9H18N4O3S/c1-2-4-10-6-7-17(14,15)13-5-3-9-11-8-12-16-9/h8,10,13H,2-7H2,1H3
InChIKeyGWCDNCHFGQIYHA-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.47
Rot. Bonds9

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

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)ethanesulfonamide (PubChem CID 114185436) has the molecular formula C9H18N4O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)ethanesulfonamide
PubChem CID114185436
Molecular FormulaC9H18N4O3S
Molecular Weight262.33 g/mol
Exact Mass262.11
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NCCc1ncno1
InChIInChI=1S/C9H18N4O3S/c1-2-4-10-6-7-17(14,15)13-5-3-9-11-8-12-16-9/h8,10,13H,2-7H2,1H3
InChIKeyGWCDNCHFGQIYHA-UHFFFAOYSA-N
XLogP-0.47
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 106395892
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114184201
1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide
CID 114185435
2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 106392325
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407859
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide
CID 106403815
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]furan-2-sulfonamide
CID 106410018
1-[3-(hydroxymethyl)phenyl]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]methanesulfonamide
CID 106410575
6-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106407903
4-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106402341
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)ethanesulfonamide
CID 114181064
2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide
CID 114140725

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)ethanesulfonamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)ethanesulfonamide (CID 114185436) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)ethanesulfonamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)ethanesulfonamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)ethanesulfonamide is CCCNCCS(=O)(=O)NCCc1ncno1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)ethanesulfonamide?
The InChIKey is GWCDNCHFGQIYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3S/c1-2-4-10-6-7-17(14,15)13-5-3-9-11-8-12-16-9/h8,10,13H,2-7H2,1H3.
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)ethanesulfonamide?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)ethanesulfonamide has a molecular weight of 262.33 g/mol, XLogP of -0.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)ethanesulfonamide is sourced from PubChem (CID 114185436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).