4-butan-2-ylsulfanyl-2-(ethylamino)butanamide

C10H22N2OS — CID 63033750

IUPAC4-butan-2-ylsulfanyl-2-(ethylamino)butanamide
SMILESCCNC(CCSC(C)CC)C(N)=O
InChIInChI=1S/C10H22N2OS/c1-4-8(3)14-7-6-9(10(11)13)12-5-2/h8-9,12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyFODFAGVCJKEKSN-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.37
Rot. Bonds8

About 4-butan-2-ylsulfanyl-2-(ethylamino)butanamide

4-butan-2-ylsulfanyl-2-(ethylamino)butanamide (PubChem CID 63033750) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 4-butan-2-ylsulfanyl-2-(ethylamino)butanamide.

Molecular Properties

Compound Name4-butan-2-ylsulfanyl-2-(ethylamino)butanamide
PubChem CID63033750
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name4-butan-2-ylsulfanyl-2-(ethylamino)butanamide
SMILESCCNC(CCSC(C)CC)C(N)=O
InChIInChI=1S/C10H22N2OS/c1-4-8(3)14-7-6-9(10(11)13)12-5-2/h8-9,12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyFODFAGVCJKEKSN-UHFFFAOYSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
Ethanethioic acid, S-(2-(((2R)-2-(acetylamino)-3-mercapto-1-oxopropyl)amino)ethyl)ester
CID 484333
(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
2-(Methylamino)-4-(methylsulfanyl)butanamide
CID 23563340
(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
3,6-Bis(2-(methylthio)ethyl)-2,5-piperazinedione
CID 169842

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfanyl-2-(ethylamino)butanamide?
The IUPAC name of 4-butan-2-ylsulfanyl-2-(ethylamino)butanamide (CID 63033750) is 4-butan-2-ylsulfanyl-2-(ethylamino)butanamide.
What is the SMILES notation for 4-butan-2-ylsulfanyl-2-(ethylamino)butanamide?
The canonical SMILES for 4-butan-2-ylsulfanyl-2-(ethylamino)butanamide is CCNC(CCSC(C)CC)C(N)=O.
What is the InChIKey of 4-butan-2-ylsulfanyl-2-(ethylamino)butanamide?
The InChIKey is FODFAGVCJKEKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-4-8(3)14-7-6-9(10(11)13)12-5-2/h8-9,12H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of 4-butan-2-ylsulfanyl-2-(ethylamino)butanamide?
4-butan-2-ylsulfanyl-2-(ethylamino)butanamide has a molecular weight of 218.37 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfanyl-2-(ethylamino)butanamide is sourced from PubChem (CID 63033750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).