N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide

C9H20F2N2O2S — CID 107493803

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C9H20F2N2O2S/c1-8(2)3-6-16(14,15)13(5-4-12)7-9(10)11/h8-9H,3-7,12H2,1-2H3
InChIKeyWYWCWEAYFYZCRD-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.89
Rot. Bonds8

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide (PubChem CID 107493803) has the molecular formula C9H20F2N2O2S and a molecular weight of 258.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide
PubChem CID107493803
Molecular FormulaC9H20F2N2O2S
Molecular Weight258.33 g/mol
Exact Mass258.12
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C9H20F2N2O2S/c1-8(2)3-6-16(14,15)13(5-4-12)7-9(10)11/h8-9H,3-7,12H2,1-2H3
InChIKeyWYWCWEAYFYZCRD-UHFFFAOYSA-N
XLogP0.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-(2,2-difluoroethyl)cyclopropanesulfonamide
CID 107493817
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide
CID 107483600
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107493796
N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 107483761
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide
CID 107492779
3-(3-methylbutylsulfonyl)propan-1-amine
CID 59317374
N-(2-chloroethyl)-3-methyl-N-propylbutane-1-sulfonamide
CID 63856983
2-[carboxymethyl(3-methylbutylsulfonyl)amino]acetic acid
CID 63858018
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107480963
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide
CID 107493808
3-methyl-1-[3-methylbutyl(sulfamoyl)amino]butane
CID 52565324
N-(2-aminoethyl)-N-propylpropane-1-sulfonamide
CID 61348593

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide (CID 107493803) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)N(CCN)CC(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide?
The InChIKey is WYWCWEAYFYZCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2O2S/c1-8(2)3-6-16(14,15)13(5-4-12)7-9(10)11/h8-9H,3-7,12H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide has a molecular weight of 258.33 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 107493803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).