N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylsulfanylpropanamide

C9H15F2NOS — CID 163939421

IUPACN-(1-cyclopropyl-2,2-difluoroethyl)-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)NC(C(F)F)C1CC1
InChIInChI=1S/C9H15F2NOS/c1-5(14-2)9(13)12-7(8(10)11)6-3-4-6/h5-8H,3-4H2,1-2H3,(H,12,13)
InChIKeyRPSDUOANCGSMMR-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.90
Rot. Bonds5

About N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylsulfanylpropanamide

N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylsulfanylpropanamide (PubChem CID 163939421) has the molecular formula C9H15F2NOS and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2,2-difluoroethyl)-2-methylsulfanylpropanamide
PubChem CID163939421
Molecular FormulaC9H15F2NOS
Molecular Weight223.29 g/mol
Exact Mass223.08
IUPAC NameN-(1-cyclopropyl-2,2-difluoroethyl)-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)NC(C(F)F)C1CC1
InChIInChI=1S/C9H15F2NOS/c1-5(14-2)9(13)12-7(8(10)11)6-3-4-6/h5-8H,3-4H2,1-2H3,(H,12,13)
InChIKeyRPSDUOANCGSMMR-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-amino-2-(1-methylsulfanylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide
CID 88129448
N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-sulfanylpropanamide
CID 132250265
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfanyl]propanamide
CID 134298583
2-methyl-N-(3,3,3-trifluoro-2-methylsulfanylpropyl)propanamide
CID 164739911
(1R)-2,2-difluoro-N-[(1S)-1-methylsulfanylethyl]cyclopropane-1-carboxamide
CID 167135032
(1S)-2,2-difluoro-N-[(1S)-1-methylsulfanylethyl]cyclopropane-1-carboxamide
CID 167136625
N-(cyclopropylmethyl)-2-(trifluoromethylsulfanyl)propanamide
CID 45816196
N-(1-cyclopropylethyl)-N-methyl-2-(trifluoromethylsulfanyl)acetamide
CID 51078914
(2S)-2-amino-N-(1-cyclopropylethyl)-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61165426
(2S)-N-(cyclopropylmethyl)-2-(trifluoromethylsulfanyl)propanamide
CID 93614004
(2R)-N-(cyclopropylmethyl)-2-(trifluoromethylsulfanyl)propanamide
CID 93614005
N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(trifluoromethylsulfanyl)acetamide
CID 94810119

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylsulfanylpropanamide?
The IUPAC name of N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylsulfanylpropanamide (CID 163939421) is N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylsulfanylpropanamide.
What is the SMILES notation for N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylsulfanylpropanamide?
The canonical SMILES for N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylsulfanylpropanamide is CSC(C)C(=O)NC(C(F)F)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylsulfanylpropanamide?
The InChIKey is RPSDUOANCGSMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NOS/c1-5(14-2)9(13)12-7(8(10)11)6-3-4-6/h5-8H,3-4H2,1-2H3,(H,12,13).
What are the key properties of N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylsulfanylpropanamide?
N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylsulfanylpropanamide has a molecular weight of 223.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylsulfanylpropanamide is sourced from PubChem (CID 163939421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).