(2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide

C10H22N2O2S — CID 104865583

IUPAC(2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide
SMILESCC(CNC(=O)[C@@H](N)C(C)(C)C)S(C)=O
InChIInChI=1S/C10H22N2O2S/c1-7(15(5)14)6-12-9(13)8(11)10(2,3)4/h7-8H,6,11H2,1-5H3,(H,12,13)/t7?,8-,15?/m1/s1
InChIKeyYMAZKVSRAYKAIB-HDGJIZGZSA-N
MW234.36 g/mol
LogP0.24
Rot. Bonds4

About (2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide

(2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide (PubChem CID 104865583) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide
PubChem CID104865583
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide
SMILESCC(CNC(=O)[C@@H](N)C(C)(C)C)S(C)=O
InChIInChI=1S/C10H22N2O2S/c1-7(15(5)14)6-12-9(13)8(11)10(2,3)4/h7-8H,6,11H2,1-5H3,(H,12,13)/t7?,8-,15?/m1/s1
InChIKeyYMAZKVSRAYKAIB-HDGJIZGZSA-N
XLogP0.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)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-3-methyl-N-(2-methylsulfinylpropyl)butanamide
CID 103950937
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 64598491
(2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide
CID 58124579
2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide
CID 115750981
2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 103827723
(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 113353389
2-cyano-N-(2-methylsulfinylpropyl)propanamide
CID 115764505
(2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride
CID 119784033
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3,3-dimethylbutanamide
CID 119725363

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide (CID 104865583) is (2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide is CC(CNC(=O)[C@@H](N)C(C)(C)C)S(C)=O.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide?
The InChIKey is YMAZKVSRAYKAIB-HDGJIZGZSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-7(15(5)14)6-12-9(13)8(11)10(2,3)4/h7-8H,6,11H2,1-5H3,(H,12,13)/t7?,8-,15?/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide?
(2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide has a molecular weight of 234.36 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide is sourced from PubChem (CID 104865583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).