3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine

C15H28N4O3S — CID 71871941

IUPAC3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)C(C)C)CCC1NC(C)c1nc(C)no1
InChIInChI=1S/C15H28N4O3S/c1-6-13-9-19(23(20,21)10(2)3)8-7-14(13)16-11(4)15-17-12(5)18-22-15/h10-11,13-14,16H,6-9H2,1-5H3
InChIKeyMIJPCQLXVRYWSG-UHFFFAOYSA-N
MW344.48 g/mol
LogP1.87
Rot. Bonds6

About 3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine

3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine (PubChem CID 71871941) has the molecular formula C15H28N4O3S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine
PubChem CID71871941
Molecular FormulaC15H28N4O3S
Molecular Weight344.48 g/mol
Exact Mass344.19
IUPAC Name3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine
SMILESCCC1CN(S(=O)(=O)C(C)C)CCC1NC(C)c1nc(C)no1
InChIInChI=1S/C15H28N4O3S/c1-6-13-9-19(23(20,21)10(2)3)8-7-14(13)16-11(4)15-17-12(5)18-22-15/h10-11,13-14,16H,6-9H2,1-5H3
InChIKeyMIJPCQLXVRYWSG-UHFFFAOYSA-N
XLogP1.87
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine with MolForge

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Related Compounds

1-[(3R,4S)-3-ethyl-4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one
CID 97026793
1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-3-ethylpiperidin-1-yl]ethanone
CID 75373846
1-[(3R,4S)-3-ethyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one
CID 124734052
[(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 98799431
(3R,4R)-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 124865969
(3R,4R)-3-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 124726925
3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 71927290
(3R,4S)-3-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 98785267
(3R,4S)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylsulfonylpiperidin-4-amine
CID 97026773
3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 163350275
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine
CID 130610885
1-[(3R,4R)-3-methyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one
CID 124866385

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
The IUPAC name of 3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine (CID 71871941) is 3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine.
What is the SMILES notation for 3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
The canonical SMILES for 3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine is CCC1CN(S(=O)(=O)C(C)C)CCC1NC(C)c1nc(C)no1.
What is the InChIKey of 3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
The InChIKey is MIJPCQLXVRYWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3S/c1-6-13-9-19(23(20,21)10(2)3)8-7-14(13)16-11(4)15-17-12(5)18-22-15/h10-11,13-14,16H,6-9H2,1-5H3.
What are the key properties of 3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine?
3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine has a molecular weight of 344.48 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylsulfonylpiperidin-4-amine is sourced from PubChem (CID 71871941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).