N-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide

C8H16F2N2O2S — CID 62009223

IUPACN-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide
SMILESCN(C1(CN)CCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C8H16F2N2O2S/c1-12(15(13,14)7(9)10)8(6-11)4-2-3-5-8/h7H,2-6,11H2,1H3
InChIKeyREGNGAKETXRVCX-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.74
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide

N-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide (PubChem CID 62009223) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide
PubChem CID62009223
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide
SMILESCN(C1(CN)CCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C8H16F2N2O2S/c1-12(15(13,14)7(9)10)8(6-11)4-2-3-5-8/h7H,2-6,11H2,1H3
InChIKeyREGNGAKETXRVCX-UHFFFAOYSA-N
XLogP0.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62007814
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62007833
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62008225
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62008455
N-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62008632
N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62008850
N-[1-(aminomethyl)cyclohexyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62009005
N-[1-(aminomethyl)cyclopentyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62009022
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62009249
N-[1-(aminomethyl)cycloheptyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62010024
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62010614
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62010618

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide (CID 62009223) is N-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide is CN(C1(CN)CCCC1)S(=O)(=O)C(F)F.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide?
The InChIKey is REGNGAKETXRVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c1-12(15(13,14)7(9)10)8(6-11)4-2-3-5-8/h7H,2-6,11H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide?
N-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide has a molecular weight of 242.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 62009223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).