(2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide

C12H23N3O2S — CID 104907401

IUPAC(2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NC1CCN(C(C)=O)CC1
InChIInChI=1S/C12H23N3O2S/c1-9(16)15-6-3-10(4-7-15)14-12(17)11(13)5-8-18-2/h10-11H,3-8,13H2,1-2H3,(H,14,17)/t11-/m1/s1
InChIKeyJSXWTBSKZGOYOV-LLVKDONJSA-N
MW273.40 g/mol
LogP0.19
Rot. Bonds5

About (2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide

(2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide (PubChem CID 104907401) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is (2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide
PubChem CID104907401
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name(2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NC1CCN(C(C)=O)CC1
InChIInChI=1S/C12H23N3O2S/c1-9(16)15-6-3-10(4-7-15)14-12(17)11(13)5-8-18-2/h10-11H,3-8,13H2,1-2H3,(H,14,17)/t11-/m1/s1
InChIKeyJSXWTBSKZGOYOV-LLVKDONJSA-N
XLogP0.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
(2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide
CID 104907039
1-[4-(4-methylsulfanylbutan-2-ylamino)piperidin-1-yl]ethanone
CID 115639941
(2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide
CID 103950535
(2S)-2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-methylsulfanylbutanamide
CID 119900300
1-[4-(2-methylsulfanylethylamino)piperidin-1-yl]ethanone
CID 60663581
ethyl 4-[[(2S)-2-aminopentanoyl]amino]piperidine-1-carboxylate
CID 93255529
(2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 104908109
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide
CID 43711915
(2S)-2-amino-N-[2-(cyclohexylamino)-2-oxoethyl]-4-methylsulfanylbutanamide
CID 119309564
(2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide
CID 104908950

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide (CID 104907401) is (2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)NC1CCN(C(C)=O)CC1.
What is the InChIKey of (2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide?
The InChIKey is JSXWTBSKZGOYOV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-9(16)15-6-3-10(4-7-15)14-12(17)11(13)5-8-18-2/h10-11H,3-8,13H2,1-2H3,(H,14,17)/t11-/m1/s1.
What are the key properties of (2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide?
(2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide has a molecular weight of 273.40 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide is sourced from PubChem (CID 104907401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).