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

C10H18FNOS — CID 134298583

IUPACN-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]propanamide
SMILESCCNC(=O)CCSCC1CC1(C)F
InChIInChI=1S/C10H18FNOS/c1-3-12-9(13)4-5-14-7-8-6-10(8,2)11/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyGAIKEKNRKBBBNK-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.99
Rot. Bonds6

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

N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]propanamide (PubChem CID 134298583) has the molecular formula C10H18FNOS and a molecular weight of 219.32 g/mol. Its IUPAC name is N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]propanamide
PubChem CID134298583
Molecular FormulaC10H18FNOS
Molecular Weight219.32 g/mol
Exact Mass219.11
IUPAC NameN-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]propanamide
SMILESCCNC(=O)CCSCC1CC1(C)F
InChIInChI=1S/C10H18FNOS/c1-3-12-9(13)4-5-14-7-8-6-10(8,2)11/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyGAIKEKNRKBBBNK-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.99
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-amino-2-oxoethyl)sulfanyl-N-(cyclopropylmethyl)propanamide
CID 47023340
N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide
CID 58263712
N-(2,2-dimethylpropyl)-3,3,3-trifluoro-2-(propylsulfanylmethyl)propanamide
CID 88902638
N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide
CID 90338985
N-ethyl-2-(ethylsulfanylmethyl)-3-fluoropropanamide
CID 118606354
2-fluoro-3-(2-methylpropylsulfanyl)-N-propan-2-ylpropanamide
CID 129132655
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)methylsulfinyl]propanamide
CID 134298584
N-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide
CID 134298732
3-[(2,2-difluorocyclopropyl)methylsulfanyl]-N-methylpropanamide
CID 142294704

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]propanamide?
The IUPAC name of N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]propanamide (CID 134298583) is N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]propanamide.
What is the SMILES notation for N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]propanamide?
The canonical SMILES for N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]propanamide is CCNC(=O)CCSCC1CC1(C)F.
What is the InChIKey of N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]propanamide?
The InChIKey is GAIKEKNRKBBBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNOS/c1-3-12-9(13)4-5-14-7-8-6-10(8,2)11/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]propanamide?
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]propanamide has a molecular weight of 219.32 g/mol, XLogP of 1.99, 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)methylsulfanyl]propanamide is sourced from PubChem (CID 134298583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).