2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

C10H16F3NO2S — CID 107030144

IUPAC2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESO=C(CC1(CS)CC1)NCCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO2S/c11-10(12,13)6-16-4-3-14-8(15)5-9(7-17)1-2-9/h17H,1-7H2,(H,14,15)
InChIKeyDIQXZANAZSXHOW-UHFFFAOYSA-N
MW271.30 g/mol
LogP1.78
Rot. Bonds7

About 2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (PubChem CID 107030144) has the molecular formula C10H16F3NO2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
PubChem CID107030144
Molecular FormulaC10H16F3NO2S
Molecular Weight271.30 g/mol
Exact Mass271.09
IUPAC Name2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESO=C(CC1(CS)CC1)NCCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO2S/c11-10(12,13)6-16-4-3-14-8(15)5-9(7-17)1-2-9/h17H,1-7H2,(H,14,15)
InChIKeyDIQXZANAZSXHOW-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107036085
N-(3,3-dimethylbutyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035900
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 63828602
N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
CID 107027283
N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030280
2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 63826371
N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030496
1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 55261667
1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279337
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79615251
N-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030296
1-carbamothioyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide
CID 80591543

Frequently Asked Questions

What is the IUPAC name of 2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The IUPAC name of 2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (CID 107030144) is 2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.
What is the SMILES notation for 2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The canonical SMILES for 2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is O=C(CC1(CS)CC1)NCCOCC(F)(F)F.
What is the InChIKey of 2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The InChIKey is DIQXZANAZSXHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2S/c11-10(12,13)6-16-4-3-14-8(15)5-9(7-17)1-2-9/h17H,1-7H2,(H,14,15).
What are the key properties of 2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide has a molecular weight of 271.30 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is sourced from PubChem (CID 107030144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).