N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide

C10H18FNO2S — CID 134298584

IUPACN-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide
SMILESCCNC(=O)CCS(=O)CC1CC1(C)F
InChIInChI=1S/C10H18FNO2S/c1-3-12-9(13)4-5-15(14)7-8-6-10(8,2)11/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyYUOBMUFXPMJQBS-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.01
Rot. Bonds6

About N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide

N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide (PubChem CID 134298584) has the molecular formula C10H18FNO2S and a molecular weight of 235.32 g/mol. Its IUPAC name is N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide
PubChem CID134298584
Molecular FormulaC10H18FNO2S
Molecular Weight235.32 g/mol
Exact Mass235.10
IUPAC NameN-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide
SMILESCCNC(=O)CCS(=O)CC1CC1(C)F
InChIInChI=1S/C10H18FNO2S/c1-3-12-9(13)4-5-15(14)7-8-6-10(8,2)11/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyYUOBMUFXPMJQBS-UHFFFAOYSA-N
XLogP1.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide
CID 118606354
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide
CID 134298579
3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]-N-methylpropanamide
CID 134298580
3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]-N-methylpropanamide
CID 134298581
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]propanamide
CID 134298583
N-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide
CID 134298732
3-(3,3-difluorobutylsulfinyl)-N-ethylpropanamide
CID 145160116
2-[(2,2-difluorocyclopropyl)methylsulfinyl]-N-ethylpropanamide
CID 153581136
3-[(2,2-difluorocyclopropyl)methylsulfinyl]-N-ethylpropanamide
CID 162076263
N-[(2S)-3-methyl-1-[S-propan-2-yl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]butan-2-yl]propanamide
CID 166691930
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]sulfinyl-N-propylacetamide
CID 114233420
1-fluoro-N-[3-methyl-3-(2-methylpropylsulfanyl)butan-2-yl]cyclopropane-1-carboxamide
CID 177157830

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide?
The IUPAC name of N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide (CID 134298584) is N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide.
What is the SMILES notation for N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide?
The canonical SMILES for N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide is CCNC(=O)CCS(=O)CC1CC1(C)F.
What is the InChIKey of N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide?
The InChIKey is YUOBMUFXPMJQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2S/c1-3-12-9(13)4-5-15(14)7-8-6-10(8,2)11/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide?
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide has a molecular weight of 235.32 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide is sourced from PubChem (CID 134298584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).