3-(2-amino-2-oxoethyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide

C9H16F2N2O3S — CID 107483232

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
SMILESNC(=O)CSCCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H16F2N2O3S/c10-7(11)5-13(2-3-14)9(16)1-4-17-6-8(12)15/h7,14H,1-6H2,(H2,12,15)
InChIKeyZBCZTEXDPZIBOE-UHFFFAOYSA-N
MW270.30 g/mol
LogP-0.32
Rot. Bonds9

About 3-(2-amino-2-oxoethyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide (PubChem CID 107483232) has the molecular formula C9H16F2N2O3S and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
PubChem CID107483232
Molecular FormulaC9H16F2N2O3S
Molecular Weight270.30 g/mol
Exact Mass270.08
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
SMILESNC(=O)CSCCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H16F2N2O3S/c10-7(11)5-13(2-3-14)9(16)1-4-17-6-8(12)15/h7,14H,1-6H2,(H2,12,15)
InChIKeyZBCZTEXDPZIBOE-UHFFFAOYSA-N
XLogP-0.32
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
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-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide (CID 107483232) is 3-(2-amino-2-oxoethyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide is NC(=O)CSCCC(=O)N(CCO)CC(F)F.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is ZBCZTEXDPZIBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O3S/c10-7(11)5-13(2-3-14)9(16)1-4-17-6-8(12)15/h7,14H,1-6H2,(H2,12,15).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 270.30 g/mol, XLogP of -0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 107483232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).