N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide

C10H21F3N2O2S — CID 114149070

IUPACN-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(C)(CCN)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-9(2,5-6-14)8-15-18(16,17)7-3-4-10(11,12)13/h15H,3-8,14H2,1-2H3
InChIKeyPAKXSDMXOPAVQY-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.62
Rot. Bonds8

About N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 114149070) has the molecular formula C10H21F3N2O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID114149070
Molecular FormulaC10H21F3N2O2S
Molecular Weight290.35 g/mol
Exact Mass290.13
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(C)(CCN)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-9(2,5-6-14)8-15-18(16,17)7-3-4-10(11,12)13/h15H,3-8,14H2,1-2H3
InChIKeyPAKXSDMXOPAVQY-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
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-(dimethylamino)propyl]-4,4,4-trifluoro-3,3-dimethylbutane-1-sulfonamide
CID 143087573
ethane;3,3,3-trifluoro-N-propylpropane-1-sulfonamide
CID 144220755
N-(3,3-difluorocyclobutyl)-2,2-dimethylpropane-1-sulfonamide
CID 169016747
1-amino-N-(2,2,2-trifluoroethyl)butane-2-sulfonamide
CID 65554862
1-amino-N-(3,3,3-trifluoropropyl)butane-2-sulfonamide
CID 65571308
4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
CID 82903855
N-[[1-(aminomethyl)cyclopropyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83057952
N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058802
N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059282
N-(4-amino-2-methylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059739

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 114149070) is N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide is CC(C)(CCN)CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is PAKXSDMXOPAVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S/c1-9(2,5-6-14)8-15-18(16,17)7-3-4-10(11,12)13/h15H,3-8,14H2,1-2H3.
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 114149070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).