(2S)-2-amino-4-(butylsulfonimidoyl)-N-methylbutanamide

C9H21N3O2S — CID 170769914

IUPAC(2S)-2-amino-4-(butylsulfonimidoyl)-N-methylbutanamide
SMILES[H]N=S(=O)(CCCC)CC[C@H](N)C(=O)NC
InChIInChI=1S/C9H21N3O2S/c1-3-4-6-15(11,14)7-5-8(10)9(13)12-2/h8,11H,3-7,10H2,1-2H3,(H,12,13)/t8-,15?/m0/s1
InChIKeyZWRIGAQOAATILT-CYQMCQFNSA-N
MW235.35 g/mol
LogP0.30
Rot. Bonds7

About (2S)-2-amino-4-(butylsulfonimidoyl)-N-methylbutanamide

(2S)-2-amino-4-(butylsulfonimidoyl)-N-methylbutanamide (PubChem CID 170769914) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is (2S)-2-amino-4-(butylsulfonimidoyl)-N-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-(butylsulfonimidoyl)-N-methylbutanamide
PubChem CID170769914
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name(2S)-2-amino-4-(butylsulfonimidoyl)-N-methylbutanamide
SMILES[H]N=S(=O)(CCCC)CC[C@H](N)C(=O)NC
InChIInChI=1S/C9H21N3O2S/c1-3-4-6-15(11,14)7-5-8(10)9(13)12-2/h8,11H,3-7,10H2,1-2H3,(H,12,13)/t8-,15?/m0/s1
InChIKeyZWRIGAQOAATILT-CYQMCQFNSA-N
XLogP0.30
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2s)-2-(Acetylamino)-N-Methyl-4-[(R)-Methylsulfinyl]butanamide
CID 44228992
2-amino-N-methyl-4-(methylsulfanyl)butanamide
CID 10034922
(2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide
CID 170770283
(2S)-2-amino-N-butyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide
CID 174251795
2-amino-4-methanesulfonyl-N,N-dimethylbutanamide hydrobromide
CID 42948602
(2s)-2-(Acetylamino)-N-Methyl-4-[(S)-Methylsulfinyl]butanamide
CID 24178118
(2S)-2-amino-N-methyl-4-(methylsulfanyl)butanamide
CID 13491009
(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-(butylsulfonimidoyl)butanamide
CID 170769978
(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N,N-dimethylbutanamide
CID 170769991
(2S)-2-amino-4-(butylsulfonimidoyl)-N-(cyanomethyl)butanamide
CID 170770239
(2S)-2-amino-4-(butylsulfonimidoyl)butanamide
CID 170770291
(2S)-2-amino-N-butyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide
CID 170770563

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(butylsulfonimidoyl)-N-methylbutanamide?
The IUPAC name of (2S)-2-amino-4-(butylsulfonimidoyl)-N-methylbutanamide (CID 170769914) is (2S)-2-amino-4-(butylsulfonimidoyl)-N-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-4-(butylsulfonimidoyl)-N-methylbutanamide?
The canonical SMILES for (2S)-2-amino-4-(butylsulfonimidoyl)-N-methylbutanamide is [H]N=S(=O)(CCCC)CC[C@H](N)C(=O)NC.
What is the InChIKey of (2S)-2-amino-4-(butylsulfonimidoyl)-N-methylbutanamide?
The InChIKey is ZWRIGAQOAATILT-CYQMCQFNSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-3-4-6-15(11,14)7-5-8(10)9(13)12-2/h8,11H,3-7,10H2,1-2H3,(H,12,13)/t8-,15?/m0/s1.
What are the key properties of (2S)-2-amino-4-(butylsulfonimidoyl)-N-methylbutanamide?
(2S)-2-amino-4-(butylsulfonimidoyl)-N-methylbutanamide has a molecular weight of 235.35 g/mol, XLogP of 0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(butylsulfonimidoyl)-N-methylbutanamide is sourced from PubChem (CID 170769914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).