N-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide

C8H18F2N2O2S — CID 115317705

IUPACN-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide
SMILESCC(C)C(N)CCN(C)S(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-6(2)7(11)4-5-12(3)15(13,14)8(9)10/h6-8H,4-5,11H2,1-3H3
InChIKeyDXSIVLSIUWYDKW-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.84
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide

N-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide (PubChem CID 115317705) has the molecular formula C8H18F2N2O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide
PubChem CID115317705
Molecular FormulaC8H18F2N2O2S
Molecular Weight244.31 g/mol
Exact Mass244.11
IUPAC NameN-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide
SMILESCC(C)C(N)CCN(C)S(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-6(2)7(11)4-5-12(3)15(13,14)8(9)10/h6-8H,4-5,11H2,1-3H3
InChIKeyDXSIVLSIUWYDKW-UHFFFAOYSA-N
XLogP0.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide 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-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide
CID 115317691
N-(3-amino-4-methylpentyl)-1-cyclohexyl-N-methylmethanesulfonamide;hydrochloride
CID 119992202
[[(3-amino-4-methylpentyl)-methylsulfamoyl]amino]cyclopropane
CID 114811297
N-(3-amino-4-methylpentyl)-4-iodo-N-methylbenzenesulfonamide
CID 115317712
N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
N-(3-amino-4-methylpentyl)-4-bromo-N-methylbenzenesulfonamide;hydrochloride
CID 119992344
N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide
CID 115317722
N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 115317658
N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 119992136
N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 119992166
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
ethyl 3-[(3-amino-4-methylpentyl)-methylsulfamoyl]propanoate
CID 115317613

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide (CID 115317705) is N-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide is CC(C)C(N)CCN(C)S(=O)(=O)C(F)F.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide?
The InChIKey is DXSIVLSIUWYDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O2S/c1-6(2)7(11)4-5-12(3)15(13,14)8(9)10/h6-8H,4-5,11H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide?
N-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide has a molecular weight of 244.31 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-1,1-difluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 115317705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).