1-(2-amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide

C9H18F2N2O2S — CID 142797226

IUPAC1-(2-amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(CC1CC(F)(F)CC1N)S(N)(=O)=O
InChIInChI=1S/C9H18F2N2O2S/c1-8(2,16(13,14)15)3-6-4-9(10,11)5-7(6)12/h6-7H,3-5,12H2,1-2H3,(H2,13,14,15)
InChIKeyZMKXPDKGWVHKNO-UHFFFAOYSA-N
MW256.32 g/mol
LogP0.82
Rot. Bonds3

About 1-(2-amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide

1-(2-amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide (PubChem CID 142797226) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-(2-amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound Name1-(2-amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide
PubChem CID142797226
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC Name1-(2-amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(CC1CC(F)(F)CC1N)S(N)(=O)=O
InChIInChI=1S/C9H18F2N2O2S/c1-8(2,16(13,14)15)3-6-4-9(10,11)5-7(6)12/h6-7H,3-5,12H2,1-2H3,(H2,13,14,15)
InChIKeyZMKXPDKGWVHKNO-UHFFFAOYSA-N
XLogP0.82
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid
CID 11543262
(3S)-3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid
CID 11630117
(3R)-3-amino-3-cyclopentyl-1,1-difluoropropane-1-sulfonic acid
CID 58691883
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-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide
CID 121432266
N-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058673
N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83068317
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
N-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106125472

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of 1-(2-amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide (CID 142797226) is 1-(2-amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for 1-(2-amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for 1-(2-amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide is CC(C)(CC1CC(F)(F)CC1N)S(N)(=O)=O.
What is the InChIKey of 1-(2-amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide?
The InChIKey is ZMKXPDKGWVHKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-8(2,16(13,14)15)3-6-4-9(10,11)5-7(6)12/h6-7H,3-5,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(2-amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide?
1-(2-amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide has a molecular weight of 256.32 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,4-difluorocyclopentyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 142797226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).