3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide

C10H20N2O3S — CID 66107561

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide
SMILESCC(CCO)CNC(=O)CCSCC(N)=O
InChIInChI=1S/C10H20N2O3S/c1-8(2-4-13)6-12-10(15)3-5-16-7-9(11)14/h8,13H,2-7H2,1H3,(H2,11,14)(H,12,15)
InChIKeyXBDWDZYGXBMJLX-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.27
Rot. Bonds9

About 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide (PubChem CID 66107561) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide
PubChem CID66107561
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide
SMILESCC(CCO)CNC(=O)CCSCC(N)=O
InChIInChI=1S/C10H20N2O3S/c1-8(2-4-13)6-12-10(15)3-5-16-7-9(11)14/h8,13H,2-7H2,1H3,(H2,11,14)(H,12,15)
InChIKeyXBDWDZYGXBMJLX-UHFFFAOYSA-N
XLogP-0.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide
CID 115612989
3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782450
2-amino-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089038
5-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 66090702
3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418562
N-(4-hydroxy-2-methylbutyl)-3-methylsulfonylpropanamide
CID 66107104
2-[[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474513
2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089686
3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]propanoic acid
CID 43354849
N-(4-hydroxy-2-methylbutyl)-3,3-dimethylbutanamide
CID 66106193
3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide
CID 22287106
3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]butanoic acid
CID 43360932

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide (CID 66107561) is 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide is CC(CCO)CNC(=O)CCSCC(N)=O.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide?
The InChIKey is XBDWDZYGXBMJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8(2-4-13)6-12-10(15)3-5-16-7-9(11)14/h8,13H,2-7H2,1H3,(H2,11,14)(H,12,15).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide has a molecular weight of 248.35 g/mol, XLogP of -0.27, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide is sourced from PubChem (CID 66107561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).