1,1-difluoro-N-(3-methylcyclopentyl)methanesulfonamide

C7H13F2NO2S — CID 114545159

IUPAC1,1-difluoro-N-(3-methylcyclopentyl)methanesulfonamide
SMILESCC1CCC(NS(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H13F2NO2S/c1-5-2-3-6(4-5)10-13(11,12)7(8)9/h5-7,10H,2-4H2,1H3
InChIKeyAADQLSGQNZXKQP-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.32
Rot. Bonds3

About 1,1-difluoro-N-(3-methylcyclopentyl)methanesulfonamide

1,1-difluoro-N-(3-methylcyclopentyl)methanesulfonamide (PubChem CID 114545159) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 1,1-difluoro-N-(3-methylcyclopentyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(3-methylcyclopentyl)methanesulfonamide
PubChem CID114545159
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name1,1-difluoro-N-(3-methylcyclopentyl)methanesulfonamide
SMILESCC1CCC(NS(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H13F2NO2S/c1-5-2-3-6(4-5)10-13(11,12)7(8)9/h5-7,10H,2-4H2,1H3
InChIKeyAADQLSGQNZXKQP-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

3,3,3-trifluoro-N-[(1R,3S)-3-methylcyclopentyl]propane-1-sulfonamide
CID 68316105
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
N-[(2-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 65838612
N-[2-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide
CID 65850775
N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 84600262
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide
CID 97614599
N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide
CID 97614600
1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclopentyl]methanesulfonamide
CID 101913203
N-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106125472
N-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 106125546

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(3-methylcyclopentyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(3-methylcyclopentyl)methanesulfonamide (CID 114545159) is 1,1-difluoro-N-(3-methylcyclopentyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(3-methylcyclopentyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(3-methylcyclopentyl)methanesulfonamide is CC1CCC(NS(=O)(=O)C(F)F)C1.
What is the InChIKey of 1,1-difluoro-N-(3-methylcyclopentyl)methanesulfonamide?
The InChIKey is AADQLSGQNZXKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-5-2-3-6(4-5)10-13(11,12)7(8)9/h5-7,10H,2-4H2,1H3.
What are the key properties of 1,1-difluoro-N-(3-methylcyclopentyl)methanesulfonamide?
1,1-difluoro-N-(3-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-(3-methylcyclopentyl)methanesulfonamide is sourced from PubChem (CID 114545159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).