N-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide

C7H14F2N2O2S — CID 106125546

IUPACN-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
SMILESNC1CCC(CNS(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11-4-5-1-2-6(10)3-5/h5-7,11H,1-4,10H2
InChIKeySUJHOMGVDQNYAV-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.26
Rot. Bonds4

About N-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide

N-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide (PubChem CID 106125546) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
PubChem CID106125546
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC NameN-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
SMILESNC1CCC(CNS(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11-4-5-1-2-6(10)3-5/h5-7,11H,1-4,10H2
InChIKeySUJHOMGVDQNYAV-UHFFFAOYSA-N
XLogP0.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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-[1-(aminomethyl)cyclopentyl]-1,1,1-trifluoromethanesulfonamide
CID 63886823
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

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide (CID 106125546) is N-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide is NC1CCC(CNS(=O)(=O)C(F)F)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is SUJHOMGVDQNYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11-4-5-1-2-6(10)3-5/h5-7,11H,1-4,10H2.
What are the key properties of N-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide?
N-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 228.26 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 106125546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).