N-(5-amino-2,2-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide

C11H23F3N2O2S — CID 106141756

IUPACN-(5-amino-2,2-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(C)(CCCN)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-10(2,5-3-7-15)9-16-19(17,18)8-4-6-11(12,13)14/h16H,3-9,15H2,1-2H3
InChIKeyPUCKDXGPJCFIBO-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.01
Rot. Bonds9

About N-(5-amino-2,2-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(5-amino-2,2-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 106141756) has the molecular formula C11H23F3N2O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(5-amino-2,2-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2,2-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID106141756
Molecular FormulaC11H23F3N2O2S
Molecular Weight304.38 g/mol
Exact Mass304.14
IUPAC NameN-(5-amino-2,2-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(C)(CCCN)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-10(2,5-3-7-15)9-16-19(17,18)8-4-6-11(12,13)14/h16H,3-9,15H2,1-2H3
InChIKeyPUCKDXGPJCFIBO-UHFFFAOYSA-N
XLogP2.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide
CID 58124376
5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide
CID 91392136
4,4-Dimethyl-3-(4,4,5,5,5-pentafluoropentylsulfonyl)pentan-1-amine
CID 123204712
5,5-Difluoro-4,4,6-trimethylthiazinane 1,1-dioxide
CID 126553242
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-(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
N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059873
N-[[1-(aminomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060159

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(5-amino-2,2-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 106141756) is N-(5-amino-2,2-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(5-amino-2,2-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(5-amino-2,2-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide is CC(C)(CCCN)CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(5-amino-2,2-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is PUCKDXGPJCFIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O2S/c1-10(2,5-3-7-15)9-16-19(17,18)8-4-6-11(12,13)14/h16H,3-9,15H2,1-2H3.
What are the key properties of N-(5-amino-2,2-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(5-amino-2,2-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 304.38 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2-dimethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 106141756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).