(2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide

C11H18N2OS2 — CID 104906974

IUPAC(2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCSCC[C@@H](N)C(=O)N(C)Cc1cccs1
InChIInChI=1S/C11H18N2OS2/c1-13(8-9-4-3-6-16-9)11(14)10(12)5-7-15-2/h3-4,6,10H,5,7-8,12H2,1-2H3/t10-/m1/s1
InChIKeyWRHYNRLLRBHYGO-SNVBAGLBSA-N
MW258.41 g/mol
LogP1.79
Rot. Bonds6

About (2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide

(2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 104906974) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID104906974
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC Name(2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCSCC[C@@H](N)C(=O)N(C)Cc1cccs1
InChIInChI=1S/C11H18N2OS2/c1-13(8-9-4-3-6-16-9)11(14)10(12)5-7-15-2/h3-4,6,10H,5,7-8,12H2,1-2H3/t10-/m1/s1
InChIKeyWRHYNRLLRBHYGO-SNVBAGLBSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)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

(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 104907658
(2S)-2-amino-N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 61164432
2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 81081754
(2S)-2-amino-N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbutanamide
CID 61154534
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600
(2S)-2-amino-N-methyl-N-[(3-methylphenyl)methyl]-4-methylsulfanylbutanamide
CID 61165636
(2S)-2-amino-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 22690032
6-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)heptanamide
CID 65292813
N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 123818114
(2R)-2-amino-N-methyl-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 104908271
methyl 3-methyl-2-[methyl(thiophen-2-ylmethyl)carbamoyl]butanoate
CID 115188071
(2R)-2-amino-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide
CID 104907677

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of (2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide (CID 104906974) is (2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide is CSCC[C@@H](N)C(=O)N(C)Cc1cccs1.
What is the InChIKey of (2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is WRHYNRLLRBHYGO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-13(8-9-4-3-6-16-9)11(14)10(12)5-7-15-2/h3-4,6,10H,5,7-8,12H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide?
(2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 258.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 104906974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).