(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-(butylsulfonimidoyl)butanamide

C10H22N4O3S — CID 170769978

IUPAC(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-(butylsulfonimidoyl)butanamide
SMILES[H]N=S(=O)(CCCC)CC[C@H](N)C(=O)NCC(N)=O
InChIInChI=1S/C10H22N4O3S/c1-2-3-5-18(13,17)6-4-8(11)10(16)14-7-9(12)15/h8,13H,2-7,11H2,1H3,(H2,12,15)(H,14,16)/t8-,18?/m0/s1
InChIKeyFHYQHTDBHIBTKR-RFXRWSEHSA-N
MW278.38 g/mol
LogP-0.85
Rot. Bonds9

About (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-(butylsulfonimidoyl)butanamide

(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-(butylsulfonimidoyl)butanamide (PubChem CID 170769978) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-(butylsulfonimidoyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-(butylsulfonimidoyl)butanamide
PubChem CID170769978
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC Name(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-(butylsulfonimidoyl)butanamide
SMILES[H]N=S(=O)(CCCC)CC[C@H](N)C(=O)NCC(N)=O
InChIInChI=1S/C10H22N4O3S/c1-2-3-5-18(13,17)6-4-8(11)10(16)14-7-9(12)15/h8,13H,2-7,11H2,1H3,(H2,12,15)(H,14,16)/t8-,18?/m0/s1
InChIKeyFHYQHTDBHIBTKR-RFXRWSEHSA-N
XLogP-0.85
TPSA139.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-Acetyl-DL-methioninamide
CID 536763
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide
CID 11088924
(S)-2-Acetamido-4-(methylthio)butanamide
CID 7004900
(2R)-N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145980045
S-[2-[[(2R)-2-acetamido-3-acetylsulfanyl-propanoyl]amino]ethyl] ethanethioate
CID 516558
2-acetamido-N-ethyl-3-(methylsulfanyl)propanamide
CID 13048727
(2s)-2-(Acetylamino)-N-Methyl-4-[(R)-Methylsulfinyl]butanamide
CID 44228992
S-[2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]ethyl] ethanethioate
CID 21156299
S-[2-[[2-[[(2R)-2-aminopropanoyl]amino]acetyl]amino]ethyl] ethanethioate
CID 44332781
(2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide
CID 170770283
(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 174246046
(2S)-2-amino-N-butyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide
CID 174251795

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-(butylsulfonimidoyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-(butylsulfonimidoyl)butanamide (CID 170769978) is (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-(butylsulfonimidoyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-(butylsulfonimidoyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-(butylsulfonimidoyl)butanamide is [H]N=S(=O)(CCCC)CC[C@H](N)C(=O)NCC(N)=O.
What is the InChIKey of (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-(butylsulfonimidoyl)butanamide?
The InChIKey is FHYQHTDBHIBTKR-RFXRWSEHSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-2-3-5-18(13,17)6-4-8(11)10(16)14-7-9(12)15/h8,13H,2-7,11H2,1H3,(H2,12,15)(H,14,16)/t8-,18?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-(butylsulfonimidoyl)butanamide?
(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-(butylsulfonimidoyl)butanamide has a molecular weight of 278.38 g/mol, XLogP of -0.85, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-amino-2-oxoethyl)-4-(butylsulfonimidoyl)butanamide is sourced from PubChem (CID 170769978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).