N-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide

C9H17F2NO2S — CID 163825829

IUPACN-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C9H17F2NO2S/c1-8(2,3)15(13,14)12-7-4-5-9(10,11)6-7/h7,12H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyNZKJGCCRSKZFBZ-SSDOTTSWSA-N
MW241.30 g/mol
LogP1.89
Rot. Bonds2

About N-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide

N-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide (PubChem CID 163825829) has the molecular formula C9H17F2NO2S and a molecular weight of 241.30 g/mol. Its IUPAC name is N-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide
PubChem CID163825829
Molecular FormulaC9H17F2NO2S
Molecular Weight241.30 g/mol
Exact Mass241.09
IUPAC NameN-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C9H17F2NO2S/c1-8(2,3)15(13,14)12-7-4-5-9(10,11)6-7/h7,12H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyNZKJGCCRSKZFBZ-SSDOTTSWSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Cyclopentyltrifluoromethanesulfonamide
CID 14076853
N-(2-Amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide
CID 118308166
N-[(1S,2S)-2-Amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide
CID 118308227
N-[(1S,2R)-2-amino-4,4-difluorocyclopentyl]-2-methylpropane-2-sulfonamide
CID 118308228
N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 123840797
N-cyclopentyl-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
CID 129294963
N-cyclopentyl-1,1,2,2,2-pentafluoroethanesulfonamide
CID 129294967
N-cyclopentyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 129294972
2-methyl-N-(1,1,1-trifluoropentan-3-yl)propane-2-sulfonamide
CID 169004233
N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
CID 82903856
N-(2-aminocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059574
N-(5-aminopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059740

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide (CID 163825829) is N-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)N[C@@H]1CCC(F)(F)C1.
What is the InChIKey of N-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide?
The InChIKey is NZKJGCCRSKZFBZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17F2NO2S/c1-8(2,3)15(13,14)12-7-4-5-9(10,11)6-7/h7,12H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of N-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide?
N-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide has a molecular weight of 241.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3,3-difluorocyclopentyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 163825829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).