4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide

C7H16N2OS2 — CID 23177233

IUPAC4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide
SMILESCSCCC(NCCS)C(N)=O
InChIInChI=1S/C7H16N2OS2/c1-12-5-2-6(7(8)10)9-3-4-11/h6,9,11H,2-5H2,1H3,(H2,8,10)
InChIKeyGHRLFOAXBXNPBJ-UHFFFAOYSA-N
MW208.35 g/mol
LogP0.11
Rot. Bonds7

About 4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide

4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide (PubChem CID 23177233) has the molecular formula C7H16N2OS2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide.

Molecular Properties

Compound Name4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide
PubChem CID23177233
Molecular FormulaC7H16N2OS2
Molecular Weight208.35 g/mol
Exact Mass208.07
IUPAC Name4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide
SMILESCSCCC(NCCS)C(N)=O
InChIInChI=1S/C7H16N2OS2/c1-12-5-2-6(7(8)10)9-3-4-11/h6,9,11H,2-5H2,1H3,(H2,8,10)
InChIKeyGHRLFOAXBXNPBJ-UHFFFAOYSA-N
XLogP0.11
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]methylphosphonic acid
CID 75241670
(2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide
CID 70436273
2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide
CID 103089201
2-(3-azidopropylamino)-4-methylsulfanylbutanamide
CID 66165986
(2S)-4-methylsulfanyl-2-(trifluoromethylsulfonylamino)butanamide
CID 22088496
(2S)-2-[[(2S)-2-(methylamino)propanethioyl]amino]-4-methylsulfanylbutanamide
CID 155137513
methyl (2S)-2-(2-cyanoethylamino)-4-methylsulfanylbutanoate
CID 57183267
2-(2-methylsulfanylethylamino)propanamide
CID 60672708
2-(2-methoxyethylamino)-4-methylsulfanylbutanoic acid
CID 62541222
N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 6993422
(2S)-2-(2-cyanoethylamino)-4-methylsulfanylbutanoic acid
CID 54033241
(2S)-2-amino-4-methylsulfanylbutanamide;cobalt
CID 174423954

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide?
The IUPAC name of 4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide (CID 23177233) is 4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide.
What is the SMILES notation for 4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide?
The canonical SMILES for 4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide is CSCCC(NCCS)C(N)=O.
What is the InChIKey of 4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide?
The InChIKey is GHRLFOAXBXNPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS2/c1-12-5-2-6(7(8)10)9-3-4-11/h6,9,11H,2-5H2,1H3,(H2,8,10).
What are the key properties of 4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide?
4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide has a molecular weight of 208.35 g/mol, XLogP of 0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide is sourced from PubChem (CID 23177233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).