(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide

C11H24N2OS — CID 103832925

IUPAC(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC(C)C(C)(C)C
InChIInChI=1S/C11H24N2OS/c1-8(11(2,3)4)13-10(14)9(12)6-7-15-5/h8-9H,6-7,12H2,1-5H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyZYDAGQUWJOZLAU-GKAPJAKFSA-N
MW232.39 g/mol
LogP1.62
Rot. Bonds5

About (2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide (PubChem CID 103832925) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
PubChem CID103832925
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC(C)C(C)(C)C
InChIInChI=1S/C11H24N2OS/c1-8(11(2,3)4)13-10(14)9(12)6-7-15-5/h8-9H,6-7,12H2,1-5H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyZYDAGQUWJOZLAU-GKAPJAKFSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide 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-(1-hydroxy-4-methylpentan-3-yl)-4-methylsulfanylbutanamide
CID 106349776
[(1R)-1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]ethyl]boronic acid
CID 74765781
2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide
CID 113288250
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-5,5-dimethylhexanoic acid
CID 104909092
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide
CID 61253857
(2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104908600
(2S)-2-amino-4-methylsulfanyl-N-pent-4-yn-2-ylbutanamide
CID 103950389
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119262982
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide
CID 104908942
(2R)-2-amino-4-methylsulfanyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 104909088
(2R)-2-amino-4-methylsulfanyl-N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]butanamide
CID 89085990
(2S)-2-amino-N-(4-methoxybutan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119313160

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide (CID 103832925) is (2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NC(C)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide?
The InChIKey is ZYDAGQUWJOZLAU-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-8(11(2,3)4)13-10(14)9(12)6-7-15-5/h8-9H,6-7,12H2,1-5H3,(H,13,14)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide has a molecular weight of 232.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 103832925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).