3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide

C9H18N2O3S — CID 65109716

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCC(C)(O)CNC(=O)CCSCC(N)=O
InChIInChI=1S/C9H18N2O3S/c1-9(2,14)6-11-8(13)3-4-15-5-7(10)12/h14H,3-6H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyGMTSGKAKBZWJNF-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.52
Rot. Bonds7

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

3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide (PubChem CID 65109716) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide
PubChem CID65109716
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCC(C)(O)CNC(=O)CCSCC(N)=O
InChIInChI=1S/C9H18N2O3S/c1-9(2,14)6-11-8(13)3-4-15-5-7(10)12/h14H,3-6H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyGMTSGKAKBZWJNF-UHFFFAOYSA-N
XLogP-0.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.52
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide (CID 65109716) is 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide is CC(C)(O)CNC(=O)CCSCC(N)=O.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The InChIKey is GMTSGKAKBZWJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-9(2,14)6-11-8(13)3-4-15-5-7(10)12/h14H,3-6H2,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)propanamide has a molecular weight of 234.32 g/mol, XLogP of -0.52, 7 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-(2-hydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 65109716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).