N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide;ethane

C11H23F2NOS — CID 144507243

IUPACN-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide;ethane
SMILESCC.CC1CCC(N(CC(F)F)S(C)=O)C1
InChIInChI=1S/C9H17F2NOS.C2H6/c1-7-3-4-8(5-7)12(14(2)13)6-9(10)11;1-2/h7-9H,3-6H2,1-2H3;1-2H3
InChIKeyNYWZEDOXANWHRS-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.06
Rot. Bonds4

About N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide;ethane

N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide;ethane (PubChem CID 144507243) has the molecular formula C11H23F2NOS and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide;ethane.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide;ethane
PubChem CID144507243
Molecular FormulaC11H23F2NOS
Molecular Weight255.37 g/mol
Exact Mass255.15
IUPAC NameN-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide;ethane
SMILESCC.CC1CCC(N(CC(F)F)S(C)=O)C1
InChIInChI=1S/C9H17F2NOS.C2H6/c1-7-3-4-8(5-7)12(14(2)13)6-9(10)11;1-2/h7-9H,3-6H2,1-2H3;1-2H3
InChIKeyNYWZEDOXANWHRS-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-difluoroethyl)-N-[(1R,3S)-3-methylcyclopentyl]methanesulfonamide
CID 144507269
N-tert-butylsulfanyl-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine
CID 154971724
N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide
CID 144507244
N-(2,2-difluoroethyl)-N-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide
CID 147598886
1-(Difluoromethylsulfonyl)-4-ethyl-2-methylpyrrolidine;ethane
CID 176666117
1-(Difluoromethylsulfonyl)-4-ethyl-2-methylpyrrolidine;ethane
CID 176666181

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide;ethane?
The IUPAC name of N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide;ethane (CID 144507243) is N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide;ethane.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide;ethane?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide;ethane is CC.CC1CCC(N(CC(F)F)S(C)=O)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide;ethane?
The InChIKey is NYWZEDOXANWHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NOS.C2H6/c1-7-3-4-8(5-7)12(14(2)13)6-9(10)11;1-2/h7-9H,3-6H2,1-2H3;1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide;ethane?
N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide;ethane has a molecular weight of 255.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide;ethane is sourced from PubChem (CID 144507243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).