N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide

C10H18F3NO3S — CID 103767819

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCCSCCCO
InChIInChI=1S/C10H18F3NO3S/c11-10(12,13)8-17-5-2-9(16)14-3-7-18-6-1-4-15/h15H,1-8H2,(H,14,16)
InChIKeyHOXGHYIRFQBEEE-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.19
Rot. Bonds10

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103767819) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103767819
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCCSCCCO
InChIInChI=1S/C10H18F3NO3S/c11-10(12,13)8-17-5-2-9(16)14-3-7-18-6-1-4-15/h15H,1-8H2,(H,14,16)
InChIKeyHOXGHYIRFQBEEE-UHFFFAOYSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.19
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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Related Compounds

S-[2-(propanoylamino)ethyl] (3S)-4-fluoro-3-hydroxybutanethioate
CID 59907762
3-ethylsulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propanamide
CID 78896721
2-propylsulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 78896820
3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
CID 103522093
3-(2,2-difluoroethoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103525080
3-(2,2-difluoroethoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103525150
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103799045
4,4,4-trifluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]butanamide
CID 103800594
3,3,3-trifluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103800783
2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103801078
2-butylsulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857117
N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide
CID 104857162

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 103767819) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NCCSCCCO.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is HOXGHYIRFQBEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c11-10(12,13)8-17-5-2-9(16)14-3-7-18-6-1-4-15/h15H,1-8H2,(H,14,16).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 289.32 g/mol, XLogP of 1.19, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103767819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).