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

C7H12F3NO2S — CID 14967680

IUPAC1,1,1-trifluoro-N-(3-methylcyclopentyl)methanesulfonamide
SMILESCC1CCC(NS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO2S/c1-5-2-3-6(4-5)11-14(12,13)7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyBRLCNBTTWZHGRT-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.61
Rot. Bonds2

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

1,1,1-trifluoro-N-(3-methylcyclopentyl)methanesulfonamide (PubChem CID 14967680) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(3-methylcyclopentyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(3-methylcyclopentyl)methanesulfonamide
PubChem CID14967680
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC Name1,1,1-trifluoro-N-(3-methylcyclopentyl)methanesulfonamide
SMILESCC1CCC(NS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO2S/c1-5-2-3-6(4-5)11-14(12,13)7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyBRLCNBTTWZHGRT-UHFFFAOYSA-N
XLogP1.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.61
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-[(1S,2S)-2-aminocyclopentyl]-N,1,1-trifluoromethanesulfonamide
CID 87401213
N-(2-amino-4-methylpentyl)-1,1,1-trifluoromethanesulfonamide
CID 43606426
N-[2-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 62955345
N-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide
CID 63886823
N-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 63889721
N-[(2-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 65838612
N-[2-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide
CID 65850775
1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclopentyl]methanesulfonamide
CID 101913203
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclopentan-1-amine
CID 106125410
N-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 106125546
1,1-difluoro-N-(3-methylcyclopentyl)methanesulfonamide
CID 114545159

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(3-methylcyclopentyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(3-methylcyclopentyl)methanesulfonamide (CID 14967680) is 1,1,1-trifluoro-N-(3-methylcyclopentyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(3-methylcyclopentyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(3-methylcyclopentyl)methanesulfonamide is CC1CCC(NS(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of 1,1,1-trifluoro-N-(3-methylcyclopentyl)methanesulfonamide?
The InChIKey is BRLCNBTTWZHGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c1-5-2-3-6(4-5)11-14(12,13)7(8,9)10/h5-6,11H,2-4H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-(3-methylcyclopentyl)methanesulfonamide?
1,1,1-trifluoro-N-(3-methylcyclopentyl)methanesulfonamide has a molecular weight of 231.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(3-methylcyclopentyl)methanesulfonamide is sourced from PubChem (CID 14967680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).