4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine

C11H19N3O3S — CID 56923137

IUPAC4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine
SMILESCCC1CCCCN1S(=O)(=O)c1c(N)noc1C
InChIInChI=1S/C11H19N3O3S/c1-3-9-6-4-5-7-14(9)18(15,16)10-8(2)17-13-11(10)12/h9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyJWLRWXLBDSXTFQ-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.52
Rot. Bonds3

About 4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine

4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine (PubChem CID 56923137) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine
PubChem CID56923137
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine
SMILESCCC1CCCCN1S(=O)(=O)c1c(N)noc1C
InChIInChI=1S/C11H19N3O3S/c1-3-9-6-4-5-7-14(9)18(15,16)10-8(2)17-13-11(10)12/h9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyJWLRWXLBDSXTFQ-UHFFFAOYSA-N
XLogP1.52
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline
CID 79588507
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969248
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]acetic acid
CID 61010548
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]cyclopropanamine
CID 63879299
4-[[(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl]sulfonyl]-5-methyl-1,2-oxazol-3-amine
CID 128845773
2-(2-ethylazepan-1-yl)sulfonyl-3-methylaniline
CID 104688760
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-2-carbaldehyde
CID 63846213
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]acetic acid
CID 61370109
3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584572
(2S)-2-ethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidine
CID 7046169
3-(2-ethylpiperidin-1-yl)sulfonyl-4-fluoro-5-methylaniline
CID 80646546
1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid
CID 122070283

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine (CID 56923137) is 4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine is CCC1CCCCN1S(=O)(=O)c1c(N)noc1C.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine?
The InChIKey is JWLRWXLBDSXTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-9-6-4-5-7-14(9)18(15,16)10-8(2)17-13-11(10)12/h9H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine?
4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine has a molecular weight of 273.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)sulfonyl-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 56923137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).