(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(3-hydroxy-3-methylbutyl)butanamide

C15H33N3O3S — CID 170770724

IUPAC(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(3-hydroxy-3-methylbutyl)butanamide
SMILES[H]N=S(=O)(CC[C@H](N)C(=O)NCCC(C)(C)O)CCC(C)(C)C
InChIInChI=1S/C15H33N3O3S/c1-14(2,3)8-11-22(17,21)10-6-12(16)13(19)18-9-7-15(4,5)20/h12,17,20H,6-11,16H2,1-5H3,(H,18,19)/t12-,22?/m0/s1
InChIKeyOFWQVVJSWSFZFE-BJDAYTSDSA-N
MW335.51 g/mol
LogP1.46
Rot. Bonds9

About (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(3-hydroxy-3-methylbutyl)butanamide

(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(3-hydroxy-3-methylbutyl)butanamide (PubChem CID 170770724) has the molecular formula C15H33N3O3S and a molecular weight of 335.51 g/mol. Its IUPAC name is (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(3-hydroxy-3-methylbutyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(3-hydroxy-3-methylbutyl)butanamide
PubChem CID170770724
Molecular FormulaC15H33N3O3S
Molecular Weight335.51 g/mol
Exact Mass335.22
IUPAC Name(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(3-hydroxy-3-methylbutyl)butanamide
SMILES[H]N=S(=O)(CC[C@H](N)C(=O)NCCC(C)(C)O)CCC(C)(C)C
InChIInChI=1S/C15H33N3O3S/c1-14(2,3)8-11-22(17,21)10-6-12(16)13(19)18-9-7-15(4,5)20/h12,17,20H,6-11,16H2,1-5H3,(H,18,19)/t12-,22?/m0/s1
InChIKeyOFWQVVJSWSFZFE-BJDAYTSDSA-N
XLogP1.46
TPSA116.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.51
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(3-hydroxy-3-methylbutyl)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-(3,3-dimethylbutylsulfonimidoyl)butanamide
CID 170769789
2-amino-N-(3,3-dimethylbutyl)pentanamide
CID 112687728
2-amino-N-(5,5-dimethylhexyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119957267
(2R)-2-amino-N-(5,5-dimethylhexyl)heptanamide
CID 90320269
2-amino-N-(3,3-dimethylbutyl)pent-4-enamide
CID 112704204
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide
CID 43098583
2-amino-N-(2-methylpentan-2-yl)-4-methylsulfonylbutanamide
CID 115751030
3-[(2-amino-4-methylsulfonylbutanoyl)amino]-2,2-dimethylpropanoic acid
CID 113307979
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-amino-N-hexylhexanamide
CID 60852762
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(3-hydroxy-3-methylbutyl)butanamide?
The IUPAC name of (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(3-hydroxy-3-methylbutyl)butanamide (CID 170770724) is (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(3-hydroxy-3-methylbutyl)butanamide.
What is the SMILES notation for (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(3-hydroxy-3-methylbutyl)butanamide?
The canonical SMILES for (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(3-hydroxy-3-methylbutyl)butanamide is [H]N=S(=O)(CC[C@H](N)C(=O)NCCC(C)(C)O)CCC(C)(C)C.
What is the InChIKey of (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(3-hydroxy-3-methylbutyl)butanamide?
The InChIKey is OFWQVVJSWSFZFE-BJDAYTSDSA-N. The full InChI is InChI=1S/C15H33N3O3S/c1-14(2,3)8-11-22(17,21)10-6-12(16)13(19)18-9-7-15(4,5)20/h12,17,20H,6-11,16H2,1-5H3,(H,18,19)/t12-,22?/m0/s1.
What are the key properties of (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(3-hydroxy-3-methylbutyl)butanamide?
(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(3-hydroxy-3-methylbutyl)butanamide has a molecular weight of 335.51 g/mol, XLogP of 1.46, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(3-hydroxy-3-methylbutyl)butanamide is sourced from PubChem (CID 170770724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).