(2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide

C13H24N4O2S — CID 119342858

IUPAC(2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C13H24N4O2S/c1-8(15-10(18)9(14)6-7-20-5)11-16-12(17-19-11)13(2,3)4/h8-9H,6-7,14H2,1-5H3,(H,15,18)/t8?,9-/m0/s1
InChIKeyKAYGMFBFGGGJFE-GKAPJAKFSA-N
MW300.43 g/mol
LogP1.62
Rot. Bonds6

About (2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide

(2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide (PubChem CID 119342858) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide
PubChem CID119342858
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name(2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C13H24N4O2S/c1-8(15-10(18)9(14)6-7-20-5)11-16-12(17-19-11)13(2,3)4/h8-9H,6-7,14H2,1-5H3,(H,15,18)/t8?,9-/m0/s1
InChIKeyKAYGMFBFGGGJFE-GKAPJAKFSA-N
XLogP1.62
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide with MolForge

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Related Compounds

(2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride
CID 119342865
(2S)-2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide
CID 119344376
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
CID 103832925
(2S)-2-amino-4-methylsulfanyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81405060
1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111506824
2-(aminomethyl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119817329
(2R)-2-amino-4-methylsulfanyl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 104907286
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-5,5-dimethylhexanoic acid
CID 104909092
1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111509178
2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 119344382
cis-(1S,2R)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119043
(2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 104908821

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide (CID 119342858) is (2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NC(C)c1nc(C(C)(C)C)no1.
What is the InChIKey of (2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide?
The InChIKey is KAYGMFBFGGGJFE-GKAPJAKFSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-8(15-10(18)9(14)6-7-20-5)11-16-12(17-19-11)13(2,3)4/h8-9H,6-7,14H2,1-5H3,(H,15,18)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide?
(2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide has a molecular weight of 300.43 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 119342858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).