N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C9H17F3N2O2S — CID 103800888

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCCSCCCO
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)7-13-6-8(16)14-2-5-17-4-1-3-15/h13,15H,1-7H2,(H,14,16)
InChIKeyLZDYZYNCEZHNDA-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.37
Rot. Bonds9

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 103800888) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID103800888
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCCSCCCO
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)7-13-6-8(16)14-2-5-17-4-1-3-15/h13,15H,1-7H2,(H,14,16)
InChIKeyLZDYZYNCEZHNDA-UHFFFAOYSA-N
XLogP0.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.37
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 N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 103800888) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCCSCCCO.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is LZDYZYNCEZHNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)7-13-6-8(16)14-2-5-17-4-1-3-15/h13,15H,1-7H2,(H,14,16).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 274.31 g/mol, XLogP of 0.37, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 103800888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).