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

C9H17F2NOS — CID 144507244

IUPACN-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide
SMILESCC1CCC(N(CC(F)F)S(C)=O)C1
InChIInChI=1S/C9H17F2NOS/c1-7-3-4-8(5-7)12(14(2)13)6-9(10)11/h7-9H,3-6H2,1-2H3
InChIKeyKZHGDUNZZLJKSU-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.04
Rot. Bonds4

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

N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide (PubChem CID 144507244) has the molecular formula C9H17F2NOS and a molecular weight of 225.30 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide
PubChem CID144507244
Molecular FormulaC9H17F2NOS
Molecular Weight225.30 g/mol
Exact Mass225.10
IUPAC NameN-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide
SMILESCC1CCC(N(CC(F)F)S(C)=O)C1
InChIInChI=1S/C9H17F2NOS/c1-7-3-4-8(5-7)12(14(2)13)6-9(10)11/h7-9H,3-6H2,1-2H3
InChIKeyKZHGDUNZZLJKSU-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.04
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-[(1R,3S)-3-ethylcyclopentyl]methanesulfonamide
CID 147598886
N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide;ethane
CID 144507243
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?
The IUPAC name of N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide (CID 144507244) is N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide is CC1CCC(N(CC(F)F)S(C)=O)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide?
The InChIKey is KZHGDUNZZLJKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NOS/c1-7-3-4-8(5-7)12(14(2)13)6-9(10)11/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide?
N-(2,2-difluoroethyl)-N-(3-methylcyclopentyl)methanesulfinamide has a molecular weight of 225.30 g/mol, XLogP of 2.04, 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 is sourced from PubChem (CID 144507244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).