N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide

C8H16FNOS — CID 118606354

IUPACN-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide
SMILESCCNC(=O)C(CF)CSCC
InChIInChI=1S/C8H16FNOS/c1-3-10-8(11)7(5-9)6-12-4-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyLWZNXHHPSQHROY-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.46
Rot. Bonds6

About N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide

N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide (PubChem CID 118606354) has the molecular formula C8H16FNOS and a molecular weight of 193.29 g/mol. Its IUPAC name is N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide.

Molecular Properties

Compound NameN-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide
PubChem CID118606354
Molecular FormulaC8H16FNOS
Molecular Weight193.29 g/mol
Exact Mass193.09
IUPAC NameN-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide
SMILESCCNC(=O)C(CF)CSCC
InChIInChI=1S/C8H16FNOS/c1-3-10-8(11)7(5-9)6-12-4-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyLWZNXHHPSQHROY-UHFFFAOYSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide?
The IUPAC name of N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide (CID 118606354) is N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide.
What is the SMILES notation for N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide?
The canonical SMILES for N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide is CCNC(=O)C(CF)CSCC.
What is the InChIKey of N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide?
The InChIKey is LWZNXHHPSQHROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNOS/c1-3-10-8(11)7(5-9)6-12-4-2/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide?
N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide has a molecular weight of 193.29 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide is sourced from PubChem (CID 118606354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).