(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)butanamide

C10H23N3O2S — CID 170769789

IUPAC(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)butanamide
SMILES[H]N=S(=O)(CC[C@H](N)C(N)=O)CCC(C)(C)C
InChIInChI=1S/C10H23N3O2S/c1-10(2,3)5-7-16(13,15)6-4-8(11)9(12)14/h8,13H,4-7,11H2,1-3H3,(H2,12,14)/t8-,16?/m0/s1
InChIKeyBEADELSOKBKQER-UOCSPZAXSA-N
MW249.38 g/mol
LogP0.67
Rot. Bonds6

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

(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)butanamide (PubChem CID 170769789) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)butanamide
PubChem CID170769789
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)butanamide
SMILES[H]N=S(=O)(CC[C@H](N)C(N)=O)CCC(C)(C)C
InChIInChI=1S/C10H23N3O2S/c1-10(2,3)5-7-16(13,15)6-4-8(11)9(12)14/h8,13H,4-7,11H2,1-3H3,(H2,12,14)/t8-,16?/m0/s1
InChIKeyBEADELSOKBKQER-UOCSPZAXSA-N
XLogP0.67
TPSA110.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(3-hydroxy-3-methylbutyl)butanamide
CID 170770724
2-amino-4-(3,3-dimethylbutylsulfanyl)butanamide
CID 170770650
(2S)-2-amino-4-[[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]sulfonimidoyl]butanoic acid
CID 168879912
(2S)-2-amino-4-(3,3,4,4,4-pentafluorobutylsulfonimidoyl)butanoic acid
CID 168879929
(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111
(2S)-2-amino-4-[[(3S)-4,4,4-trifluoro-3-methylbutyl]sulfonimidoyl]butanoic acid
CID 170769810
(2S)-2-amino-4-[[3-(2-fluorophenyl)-3-methylbutyl]sulfonimidoyl]butanoic acid
CID 174245948
ethyl (2S)-2-amino-4-(butylsulfonimidoyl)butanoate
CID 170769855
(2S)-2-aminopropanamide;2,2-dimethylpentane
CID 175210028
2-amino-5,5-difluoro-4,4-dimethylpentanamide
CID 129050773
(4S)-4-amino-2,2,7,7-tetramethyloctan-3-one
CID 167383271
(2S)-2-amino-4-(4,4-difluorobutylsulfonimidoyl)butanoic acid
CID 170770456

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)butanamide?
The IUPAC name of (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)butanamide (CID 170769789) is (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)butanamide.
What is the SMILES notation for (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)butanamide?
The canonical SMILES for (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)butanamide is [H]N=S(=O)(CC[C@H](N)C(N)=O)CCC(C)(C)C.
What is the InChIKey of (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)butanamide?
The InChIKey is BEADELSOKBKQER-UOCSPZAXSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-10(2,3)5-7-16(13,15)6-4-8(11)9(12)14/h8,13H,4-7,11H2,1-3H3,(H2,12,14)/t8-,16?/m0/s1.
What are the key properties of (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)butanamide?
(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)butanamide has a molecular weight of 249.38 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)butanamide is sourced from PubChem (CID 170769789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).