N-(2-amino-4,4-dimethylpentyl)-1,1-difluoromethanesulfonamide

C8H18F2N2O2S — CID 107158982

IUPACN-(2-amino-4,4-dimethylpentyl)-1,1-difluoromethanesulfonamide
SMILESCC(C)(C)CC(N)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-8(2,3)4-6(11)5-12-15(13,14)7(9)10/h6-7,12H,4-5,11H2,1-3H3
InChIKeyKCAQZVJMKIGUKP-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.89
Rot. Bonds5

About N-(2-amino-4,4-dimethylpentyl)-1,1-difluoromethanesulfonamide

N-(2-amino-4,4-dimethylpentyl)-1,1-difluoromethanesulfonamide (PubChem CID 107158982) has the molecular formula C8H18F2N2O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is N-(2-amino-4,4-dimethylpentyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,4-dimethylpentyl)-1,1-difluoromethanesulfonamide
PubChem CID107158982
Molecular FormulaC8H18F2N2O2S
Molecular Weight244.31 g/mol
Exact Mass244.11
IUPAC NameN-(2-amino-4,4-dimethylpentyl)-1,1-difluoromethanesulfonamide
SMILESCC(C)(C)CC(N)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-8(2,3)4-6(11)5-12-15(13,14)7(9)10/h6-7,12H,4-5,11H2,1-3H3
InChIKeyKCAQZVJMKIGUKP-UHFFFAOYSA-N
XLogP0.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R,R) N-(1-tert-Butyl-3,3-dimethyl-2-trifluoromethanesulfonylamino-butyl)-C,C,C-trifluoro-methanesulfonamide
CID 139189975
5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide
CID 91392136
N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide
CID 177280010
1,1,1-trifluoro-N-(2,2,4,4-tetramethylpentan-3-yl)methanesulfonamide
CID 177280021
1,1,1-trifluoro-N-(2,2,4-trimethylpentan-3-yl)methanesulfonamide
CID 177280051
N-(2-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide
CID 43606286
N-(2-amino-4-methylpentyl)-1,1,1-trifluoromethanesulfonamide
CID 43606426
N-(1-amino-4-methylpentan-2-yl)-1,1-difluoromethanesulfonamide
CID 63767726
N-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 63889721
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-aminohexan-2-yl)-1,1-difluoromethanesulfonamide
CID 80696548

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4-dimethylpentyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-amino-4,4-dimethylpentyl)-1,1-difluoromethanesulfonamide (CID 107158982) is N-(2-amino-4,4-dimethylpentyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-amino-4,4-dimethylpentyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-amino-4,4-dimethylpentyl)-1,1-difluoromethanesulfonamide is CC(C)(C)CC(N)CNS(=O)(=O)C(F)F.
What is the InChIKey of N-(2-amino-4,4-dimethylpentyl)-1,1-difluoromethanesulfonamide?
The InChIKey is KCAQZVJMKIGUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O2S/c1-8(2,3)4-6(11)5-12-15(13,14)7(9)10/h6-7,12H,4-5,11H2,1-3H3.
What are the key properties of N-(2-amino-4,4-dimethylpentyl)-1,1-difluoromethanesulfonamide?
N-(2-amino-4,4-dimethylpentyl)-1,1-difluoromethanesulfonamide has a molecular weight of 244.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,4-dimethylpentyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 107158982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).