2-amino-N-(2,2-difluoropropyl)ethanesulfonamide

C5H12F2N2O2S — CID 157027081

IUPAC2-amino-N-(2,2-difluoropropyl)ethanesulfonamide
SMILESCC(F)(F)CNS(=O)(=O)CCN
InChIInChI=1S/C5H12F2N2O2S/c1-5(6,7)4-9-12(10,11)3-2-8/h9H,2-4,8H2,1H3
InChIKeyCLGBROSTGAIRNS-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.48
Rot. Bonds5

About 2-amino-N-(2,2-difluoropropyl)ethanesulfonamide

2-amino-N-(2,2-difluoropropyl)ethanesulfonamide (PubChem CID 157027081) has the molecular formula C5H12F2N2O2S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoropropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoropropyl)ethanesulfonamide
PubChem CID157027081
Molecular FormulaC5H12F2N2O2S
Molecular Weight202.23 g/mol
Exact Mass202.06
IUPAC Name2-amino-N-(2,2-difluoropropyl)ethanesulfonamide
SMILESCC(F)(F)CNS(=O)(=O)CCN
InChIInChI=1S/C5H12F2N2O2S/c1-5(6,7)4-9-12(10,11)3-2-8/h9H,2-4,8H2,1H3
InChIKeyCLGBROSTGAIRNS-UHFFFAOYSA-N
XLogP-0.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl perfluorobutanesulfonamide
CID 14661392
4-amino-N-methylbutane-1-sulfonamide
CID 61456555
N-(3-aminopropyl)ethane-1-sulfonamide
CID 24702447
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
3-amino-N-methylpropane-1-sulfonamide hydrochloride
CID 86628390
3,3,3-trifluoro-N-methylpropane-1-sulfonamide
CID 88571719
1-Aminopropane-2-sulfonamide
CID 65552726
N-ethyl perfluoropropane sulfonamide
CID 129294817
2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide
CID 119030899
(2S)-1-amino-N-methylpropane-2-sulfonamidehydrochloride
CID 165652573
(2R)-1-amino-N-methylpropane-2-sulfonamidehydrochloride
CID 165652880
Perfluoromethane sulfonamido propyl sulfonate
CID 138395143

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoropropyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(2,2-difluoropropyl)ethanesulfonamide (CID 157027081) is 2-amino-N-(2,2-difluoropropyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoropropyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(2,2-difluoropropyl)ethanesulfonamide is CC(F)(F)CNS(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-(2,2-difluoropropyl)ethanesulfonamide?
The InChIKey is CLGBROSTGAIRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2O2S/c1-5(6,7)4-9-12(10,11)3-2-8/h9H,2-4,8H2,1H3.
What are the key properties of 2-amino-N-(2,2-difluoropropyl)ethanesulfonamide?
2-amino-N-(2,2-difluoropropyl)ethanesulfonamide has a molecular weight of 202.23 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoropropyl)ethanesulfonamide is sourced from PubChem (CID 157027081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).