N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide

C12H25F3N2O2S — CID 83067867

IUPACN-[3-(aminomethyl)pentan-3-yl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCN(C(CC)(CC)CN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C12H25F3N2O2S/c1-4-11(5-2,10-16)17(6-3)20(18,19)9-7-8-12(13,14)15/h4-10,16H2,1-3H3
InChIKeyOXDHMKNRBMVYJF-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.50
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83067867) has the molecular formula C12H25F3N2O2S and a molecular weight of 318.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83067867
Molecular FormulaC12H25F3N2O2S
Molecular Weight318.41 g/mol
Exact Mass318.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCN(C(CC)(CC)CN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C12H25F3N2O2S/c1-4-11(5-2,10-16)17(6-3)20(18,19)9-7-8-12(13,14)15/h4-10,16H2,1-3H3
InChIKeyOXDHMKNRBMVYJF-UHFFFAOYSA-N
XLogP2.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide 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

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)cyclopentyl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62009022
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62009249
N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide
CID 62009650
N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide
CID 62010046
N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 62010049
N-(1-amino-2-methylpropan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide
CID 62010251
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83048542
N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
CID 83048546
N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
CID 83048673

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide (CID 83067867) is N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide is CCN(C(CC)(CC)CN)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is OXDHMKNRBMVYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O2S/c1-4-11(5-2,10-16)17(6-3)20(18,19)9-7-8-12(13,14)15/h4-10,16H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 318.41 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83067867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).