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

C10H21F3N2O2S — CID 106357400

IUPACN-(1-amino-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(C)C(CCN)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-8(2)9(4-6-14)15-18(16,17)7-3-5-10(11,12)13/h8-9,15H,3-7,14H2,1-2H3
InChIKeySNCVQVOFYFYRMY-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.62
Rot. Bonds8

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

N-(1-amino-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 106357400) has the molecular formula C10H21F3N2O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID106357400
Molecular FormulaC10H21F3N2O2S
Molecular Weight290.35 g/mol
Exact Mass290.13
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(C)C(CCN)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-8(2)9(4-6-14)15-18(16,17)7-3-5-10(11,12)13/h8-9,15H,3-7,14H2,1-2H3
InChIKeySNCVQVOFYFYRMY-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

3,3,3-trifluoro-N-[(1R,3S)-3-methylcyclopentyl]propane-1-sulfonamide
CID 68316105
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-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259
3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide
CID 137470800
N-(2-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide
CID 43606286
N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
CID 61355499
N-[3-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61355500
N-[2-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
CID 61355849
N-[2-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61355850
N-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
CID 61356176
N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61356177

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide (CID 106357400) is N-(1-amino-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide is CC(C)C(CCN)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is SNCVQVOFYFYRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S/c1-8(2)9(4-6-14)15-18(16,17)7-3-5-10(11,12)13/h8-9,15H,3-7,14H2,1-2H3.
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(1-amino-4-methylpentan-3-yl)-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-(1-amino-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 106357400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).