3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]-N-methylpropanamide

C9H16FNOS — CID 134298581

IUPAC3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]-N-methylpropanamide
SMILESCNC(=O)CCSCC1CC1(C)F
InChIInChI=1S/C9H16FNOS/c1-9(10)5-7(9)6-13-4-3-8(12)11-2/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyUJKFGBBXIHKVJE-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.60
Rot. Bonds5

About 3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]-N-methylpropanamide

3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]-N-methylpropanamide (PubChem CID 134298581) has the molecular formula C9H16FNOS and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]-N-methylpropanamide
PubChem CID134298581
Molecular FormulaC9H16FNOS
Molecular Weight205.30 g/mol
Exact Mass205.09
IUPAC Name3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]-N-methylpropanamide
SMILESCNC(=O)CCSCC1CC1(C)F
InChIInChI=1S/C9H16FNOS/c1-9(10)5-7(9)6-13-4-3-8(12)11-2/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyUJKFGBBXIHKVJE-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-difluorocyclopropyl)-N-methylpropanamide
CID 175397167
3-[[(1S)-2,2-difluorocyclopropyl]methylsulfanyl]propanoic acid
CID 129408589
ethane;N-methyl-3-methylsulfanylpropanamide
CID 143646682
[[2-[3-(methylamino)-3-oxopropyl]sulfanylacetyl]amino]iodanium
CID 146747636
3-bromo-N-methylpropanamide
CID 23033748
N-methyl-3-phosphanylsulfanylpropanamide
CID 123504025
(2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid
CID 62324056
3-ethoxysulfanyl-N-methylpropanamide
CID 175326328
3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide
CID 87376124
ethane;(E)-N-methylhex-4-enamide
CID 178010594
2-[4-(methylamino)-4-oxobutyl]sulfanylacetic acid
CID 63892860
N,N'-dimethylheptanediamide
CID 15166696

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]-N-methylpropanamide?
The IUPAC name of 3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]-N-methylpropanamide (CID 134298581) is 3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]-N-methylpropanamide?
The canonical SMILES for 3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]-N-methylpropanamide is CNC(=O)CCSCC1CC1(C)F.
What is the InChIKey of 3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]-N-methylpropanamide?
The InChIKey is UJKFGBBXIHKVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNOS/c1-9(10)5-7(9)6-13-4-3-8(12)11-2/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]-N-methylpropanamide?
3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]-N-methylpropanamide has a molecular weight of 205.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]-N-methylpropanamide is sourced from PubChem (CID 134298581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).