N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide

C11H21N3O3S — CID 79241633

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NC(C)c1c(C)noc1C
InChIInChI=1S/C11H21N3O3S/c1-5-12-6-7-18(15,16)14-9(3)11-8(2)13-17-10(11)4/h9,12,14H,5-7H2,1-4H3
InChIKeyGEHHJNLZKJHSEE-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.88
Rot. Bonds7

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide (PubChem CID 79241633) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide
PubChem CID79241633
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NC(C)c1c(C)noc1C
InChIInChI=1S/C11H21N3O3S/c1-5-12-6-7-18(15,16)14-9(3)11-8(2)13-17-10(11)4/h9,12,14H,5-7H2,1-4H3
InChIKeyGEHHJNLZKJHSEE-UHFFFAOYSA-N
XLogP0.88
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide
CID 79237652
(2S)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide
CID 97065841
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide
CID 79242650
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide
CID 81245889
2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 79236641
3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 79223860
methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate
CID 115353489
2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
CID 62118702
6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 78961556
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine
CID 60920492
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 79232966
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 79237898

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide (CID 79241633) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide is CCNCCS(=O)(=O)NC(C)c1c(C)noc1C.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide?
The InChIKey is GEHHJNLZKJHSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-5-12-6-7-18(15,16)14-9(3)11-8(2)13-17-10(11)4/h9,12,14H,5-7H2,1-4H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide has a molecular weight of 275.37 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(ethylamino)ethanesulfonamide is sourced from PubChem (CID 79241633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).