N-[1-(aminomethyl)cyclopentyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide

C12H23F3N2O2S — CID 83068531

IUPACN-[1-(aminomethyl)cyclopentyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCN(C1(CN)CCCC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2S/c1-2-17(11(10-16)6-3-4-7-11)20(18,19)9-5-8-12(13,14)15/h2-10,16H2,1H3
InChIKeyQDXXBLOGENGBEF-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.25
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide

N-[1-(aminomethyl)cyclopentyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83068531) has the molecular formula C12H23F3N2O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83068531
Molecular FormulaC12H23F3N2O2S
Molecular Weight316.39 g/mol
Exact Mass316.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCN(C1(CN)CCCC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2S/c1-2-17(11(10-16)6-3-4-7-11)20(18,19)9-5-8-12(13,14)15/h2-10,16H2,1H3
InChIKeyQDXXBLOGENGBEF-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-({1-[ethyl(methyl)amino]cyclopentyl}methyl)cyclopropanesulfonamide
CID 131908038
[4,4-Difluoro-1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methanamine
CID 58561921
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-[1-(aminomethyl)cyclopentyl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62009223
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62010614
1-(aminomethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 65376983
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83048542
N-[1-(aminomethyl)-4-methylcyclohexyl]-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
CID 83048543

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide (CID 83068531) is N-[1-(aminomethyl)cyclopentyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide is CCN(C1(CN)CCCC1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is QDXXBLOGENGBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2S/c1-2-17(11(10-16)6-3-4-7-11)20(18,19)9-5-8-12(13,14)15/h2-10,16H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 316.39 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83068531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).