N-(1-amino-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide

C10H21F3N2O2S — CID 114152600

IUPACN-(1-amino-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(C)(CCN)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-3-9(2,6-7-14)15-18(16,17)8-4-5-10(11,12)13/h15H,3-8,14H2,1-2H3
InChIKeyQWNMPANBEPDUPD-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.77
Rot. Bonds8

About N-(1-amino-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide

N-(1-amino-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 114152600) has the molecular formula C10H21F3N2O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(1-amino-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID114152600
Molecular FormulaC10H21F3N2O2S
Molecular Weight290.35 g/mol
Exact Mass290.13
IUPAC NameN-(1-amino-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(C)(CCN)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-3-9(2,6-7-14)15-18(16,17)8-4-5-10(11,12)13/h15H,3-8,14H2,1-2H3
InChIKeyQWNMPANBEPDUPD-UHFFFAOYSA-N
XLogP1.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-3-methylpentan-3-yl)-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-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 123840797
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide
CID 61124575
N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058384
N-(2-amino-2-methylpropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058658
N,4-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
CID 83058659
N-(2-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058794
N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058802
N-(1-amino-2,4-dimethylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059109
N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059282
N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059418
N-(4-amino-2-methylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059739
N-(5-aminopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059740

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(1-amino-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide (CID 114152600) is N-(1-amino-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(1-amino-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide is CCC(C)(CCN)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(1-amino-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is QWNMPANBEPDUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S/c1-3-9(2,6-7-14)15-18(16,17)8-4-5-10(11,12)13/h15H,3-8,14H2,1-2H3.
What are the key properties of N-(1-amino-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(1-amino-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 114152600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).