1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide

C9H18N4O3S — CID 114185435

IUPAC1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCCc1ncno1
InChIInChI=1S/C9H18N4O3S/c1-3-10-6-8(2)17(14,15)13-5-4-9-11-7-12-16-9/h7-8,10,13H,3-6H2,1-2H3
InChIKeyYZEWLIBRTWACEJ-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.47
Rot. Bonds8

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

1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide (PubChem CID 114185435) has the molecular formula C9H18N4O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide
PubChem CID114185435
Molecular FormulaC9H18N4O3S
Molecular Weight262.33 g/mol
Exact Mass262.11
IUPAC Name1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCCc1ncno1
InChIInChI=1S/C9H18N4O3S/c1-3-10-6-8(2)17(14,15)13-5-4-9-11-7-12-16-9/h7-8,10,13H,3-6H2,1-2H3
InChIKeyYZEWLIBRTWACEJ-UHFFFAOYSA-N
XLogP-0.47
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
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

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Related Compounds

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)ethanesulfonamide
CID 114185436
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114184201
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]furan-2-sulfonamide
CID 106410018
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 103838479
2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 106395892
6-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106407903
N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide
CID 106085654
1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 106087679
(2R)-2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397573
N-butan-2-yl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide
CID 106399910
4-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106402341
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407859

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide?
The IUPAC name of 1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide (CID 114185435) is 1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for 1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide?
The canonical SMILES for 1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide is CCNCC(C)S(=O)(=O)NCCc1ncno1.
What is the InChIKey of 1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide?
The InChIKey is YZEWLIBRTWACEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3S/c1-3-10-6-8(2)17(14,15)13-5-4-9-11-7-12-16-9/h7-8,10,13H,3-6H2,1-2H3.
What are the key properties of 1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide?
1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide has a molecular weight of 262.33 g/mol, XLogP of -0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 114185435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).