4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole

C12H20N2O3S — CID 47104037

IUPAC4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCCC1CCCCN1S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C12H20N2O3S/c1-4-11-7-5-6-8-14(11)18(15,16)12-9(2)13-17-10(12)3/h11H,4-8H2,1-3H3
InChIKeyPIGQNLZXTJKQDK-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.24
Rot. Bonds3

About 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole

4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole (PubChem CID 47104037) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole
PubChem CID47104037
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole
SMILESCCC1CCCCN1S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C12H20N2O3S/c1-4-11-7-5-6-8-14(11)18(15,16)12-9(2)13-17-10(12)3/h11H,4-8H2,1-3H3
InChIKeyPIGQNLZXTJKQDK-UHFFFAOYSA-N
XLogP2.24
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3,5-Dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinecarboxylic acid
CID 6486599
N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 4750113
3,5-Dimethylisoxazole-4-sulfonamide
CID 4962303
Ethyl 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-piperidinecarboxylate
CID 2812656
Ethyl 1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)piperidine-4-carboxylate
CID 2813441
1-[(3,5-Dimethylisoxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid
CID 4133722
8-[(3,5-Dimethylisoxazol-4-yl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 2813382
1-((3,5-Dimethylisoxazol-4-yl)sulfonyl)piperidine-4-carboxamide
CID 2812753
(1-((3,5-Dimethylisoxazol-4-yl)sulfonyl)piperidin-4-yl)(4-methylpiperidin-1-yl)methanone
CID 3240280
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethylmethanimidamide
CID 9583533
3,5-Dimethyl-4-((4-methyl-[1,4'-bipiperidin]-1'-yl)sulfonyl)isoxazole
CID 118308370
4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine
CID 2805725

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole (CID 47104037) is 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole is CCC1CCCCN1S(=O)(=O)c1c(C)noc1C.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole?
The InChIKey is PIGQNLZXTJKQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-11-7-5-6-8-14(11)18(15,16)12-9(2)13-17-10(12)3/h11H,4-8H2,1-3H3.
What are the key properties of 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole?
4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole has a molecular weight of 272.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 47104037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).