N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide

C7H14F2N2O2S — CID 28940526

IUPACN-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
SMILESNCC1(NS(=O)(=O)C(F)F)CCCC1
InChIInChI=1S/C7H14F2N2O2S/c8-6(9)14(12,13)11-7(5-10)3-1-2-4-7/h6,11H,1-5,10H2
InChIKeyADZVKWIQSNYWKG-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.40
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide

N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide (PubChem CID 28940526) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
PubChem CID28940526
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
SMILESNCC1(NS(=O)(=O)C(F)F)CCCC1
InChIInChI=1S/C7H14F2N2O2S/c8-6(9)14(12,13)11-7(5-10)3-1-2-4-7/h6,11H,1-5,10H2
InChIKeyADZVKWIQSNYWKG-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 28940488
N-[(1-aminocyclohexyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 43598199
N-[(1-aminocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 43598224
1-(Difluoromethylsulfonylamino)cyclopentane-1-carbothioamide
CID 61124457
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide
CID 61124575
N-[2-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 62955345
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
N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067789
N-[1-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide
CID 86780678
N-[(1-aminocyclobutyl)methyl]-1,1-difluoromethanesulfonamide
CID 103352857

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide (CID 28940526) is N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide is NCC1(NS(=O)(=O)C(F)F)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide?
The InChIKey is ADZVKWIQSNYWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c8-6(9)14(12,13)11-7(5-10)3-1-2-4-7/h6,11H,1-5,10H2.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide?
N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide has a molecular weight of 228.26 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 28940526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).