1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide

C7H13F2NO2S — CID 130677308

IUPAC1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide
SMILESCC1CCCC1NS(=O)(=O)C(F)F
InChIInChI=1S/C7H13F2NO2S/c1-5-3-2-4-6(5)10-13(11,12)7(8)9/h5-7,10H,2-4H2,1H3
InChIKeyCFWCBUFHTNVOHW-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.32
Rot. Bonds3

About 1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide

1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide (PubChem CID 130677308) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide
PubChem CID130677308
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide
SMILESCC1CCCC1NS(=O)(=O)C(F)F
InChIInChI=1S/C7H13F2NO2S/c1-5-3-2-4-6(5)10-13(11,12)7(8)9/h5-7,10H,2-4H2,1H3
InChIKeyCFWCBUFHTNVOHW-UHFFFAOYSA-N
XLogP1.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]methanesulfonamide
CID 62955165
3,3,3-trifluoro-N-[(1R,3S)-3-methylcyclopentyl]propane-1-sulfonamide
CID 68316105
1-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide
CID 87401213
1,1,1-trifluoro-N-(3-methylcyclopentyl)methanesulfonamide
CID 14967680
N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 28940526
N-[2-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 62955345
2-(Difluoromethylsulfonylamino)cyclopentane-1-carbothioamide
CID 62957474
N-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide
CID 62962898
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 65827926
N-[(2-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 65838612
N-[2-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 65848577
N-[2-(aminomethyl)cyclopentyl]-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 65850131

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide (CID 130677308) is 1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide is CC1CCCC1NS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide?
The InChIKey is CFWCBUFHTNVOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-5-3-2-4-6(5)10-13(11,12)7(8)9/h5-7,10H,2-4H2,1H3.
What are the key properties of 1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide?
1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide has a molecular weight of 213.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide is sourced from PubChem (CID 130677308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).