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

C11H23F3N2O2S — CID 106357479

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(C)(C)C(CCN)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-10(2,3)9(5-7-15)16-19(17,18)8-4-6-11(12,13)14/h9,16H,4-8,15H2,1-3H3
InChIKeyULHKBLRGCOVCDG-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.01
Rot. Bonds7

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

N-(1-amino-4,4-dimethylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 106357479) has the molecular formula C11H23F3N2O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID106357479
Molecular FormulaC11H23F3N2O2S
Molecular Weight304.38 g/mol
Exact Mass304.14
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(C)(C)C(CCN)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-10(2,3)9(5-7-15)16-19(17,18)8-4-6-11(12,13)14/h9,16H,4-8,15H2,1-3H3
InChIKeyULHKBLRGCOVCDG-UHFFFAOYSA-N
XLogP2.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide
CID 87159674
5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide
CID 91392136
N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 123840797
N-(3-tert-butylcyclobutyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 156532369
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide
CID 79711267
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1-difluoromethanesulfonamide
CID 79711436
N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058384
N-(2-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058794
N-(1-amino-2,4-dimethylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059109
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059281
N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059418
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-4,4-dimethylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide (CID 106357479) is N-(1-amino-4,4-dimethylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide is CC(C)(C)C(CCN)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is ULHKBLRGCOVCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O2S/c1-10(2,3)9(5-7-15)16-19(17,18)8-4-6-11(12,13)14/h9,16H,4-8,15H2,1-3H3.
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 304.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 106357479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).