(2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide

C14H29N3OS — CID 104908109

IUPAC(2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
SMILESCSCC[C@@H](N)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C14H29N3OS/c1-13(2)8-10(9-14(3,4)17-13)16-12(18)11(15)6-7-19-5/h10-11,17H,6-9,15H2,1-5H3,(H,16,18)/t11-/m1/s1
InChIKeyUCVFAPJAPFQPAP-LLVKDONJSA-N
MW287.47 g/mol
LogP1.49
Rot. Bonds5

About (2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide

(2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide (PubChem CID 104908109) has the molecular formula C14H29N3OS and a molecular weight of 287.47 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
PubChem CID104908109
Molecular FormulaC14H29N3OS
Molecular Weight287.47 g/mol
Exact Mass287.20
IUPAC Name(2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
SMILESCSCC[C@@H](N)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C14H29N3OS/c1-13(2)8-10(9-14(3,4)17-13)16-12(18)11(15)6-7-19-5/h10-11,17H,6-9,15H2,1-5H3,(H,16,18)/t11-/m1/s1
InChIKeyUCVFAPJAPFQPAP-LLVKDONJSA-N
XLogP1.49
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
CID 61247695
(2R)-2-amino-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
CID 104903249
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
(2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide
CID 103950535
(2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide
CID 106187684
(2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide
CID 104907401
(2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide
CID 104907039
(2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide
CID 104908950
(2R)-2-amino-3,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 103929600
(2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide
CID 103833144
(2S)-2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-methylsulfanylbutanamide
CID 119900300

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
The IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide (CID 104908109) is (2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
The canonical SMILES for (2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide is CSCC[C@@H](N)C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
The InChIKey is UCVFAPJAPFQPAP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H29N3OS/c1-13(2)8-10(9-14(3,4)17-13)16-12(18)11(15)6-7-19-5/h10-11,17H,6-9,15H2,1-5H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
(2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide has a molecular weight of 287.47 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide is sourced from PubChem (CID 104908109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).