(2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one

C14H24N4O2S — CID 124594397

IUPAC(2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one
SMILESCSCC[C@H](N)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1
InChIInChI=1S/C14H24N4O2S/c1-10-16-13(17-20-10)8-11-4-3-6-18(9-11)14(19)12(15)5-7-21-2/h11-12H,3-9,15H2,1-2H3/t11-,12-/m0/s1
InChIKeyPFPWFGVODYJAJM-RYUDHWBXSA-N
MW312.44 g/mol
LogP1.24
Rot. Bonds6

About (2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one

(2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one (PubChem CID 124594397) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is (2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one
PubChem CID124594397
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name(2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one
SMILESCSCC[C@H](N)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1
InChIInChI=1S/C14H24N4O2S/c1-10-16-13(17-20-10)8-11-4-3-6-18(9-11)14(19)12(15)5-7-21-2/h11-12H,3-9,15H2,1-2H3/t11-,12-/m0/s1
InChIKeyPFPWFGVODYJAJM-RYUDHWBXSA-N
XLogP1.24
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-amino-3,3-dimethyl-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119775634
4-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pentan-1-one
CID 120562335
2-methyl-3-(methylamino)-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 119775640
(2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 124737577
(2S)-2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 103950968
2-(1-aminocyclobutyl)-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
CID 124697978
(2S)-2-amino-1-(3-methylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 61148925
(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 97074173
[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 124697986
ethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate
CID 124628859
2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591759
1-[(2R)-2-amino-4-methylsulfanylbutanoyl]piperidine-3-carboxylic acid
CID 104907990

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one (CID 124594397) is (2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one is CSCC[C@H](N)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1.
What is the InChIKey of (2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one?
The InChIKey is PFPWFGVODYJAJM-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-10-16-13(17-20-10)8-11-4-3-6-18(9-11)14(19)12(15)5-7-21-2/h11-12H,3-9,15H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one?
(2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one has a molecular weight of 312.44 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one is sourced from PubChem (CID 124594397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).