2-azaniumylethyl(difluoromethylsulfonyl)azanide

C3H8F2N2O2S — CID 28606993

IUPAC2-azaniumylethyl(difluoromethylsulfonyl)azanide
SMILES[NH3+]CC[N-]S(=O)(=O)C(F)F
InChIInChI=1S/C3H7F2N2O2S/c4-3(5)10(8,9)7-2-1-6/h3H,1-2,6H2/q-1/p+1
InChIKeyCNHFCZBVNPQBJD-UHFFFAOYSA-O
MW174.17 g/mol
LogP-0.85
Rot. Bonds4

About 2-azaniumylethyl(difluoromethylsulfonyl)azanide

2-azaniumylethyl(difluoromethylsulfonyl)azanide (PubChem CID 28606993) has the molecular formula C3H8F2N2O2S and a molecular weight of 174.17 g/mol. Its IUPAC name is 2-azaniumylethyl(difluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name2-azaniumylethyl(difluoromethylsulfonyl)azanide
PubChem CID28606993
Molecular FormulaC3H8F2N2O2S
Molecular Weight174.17 g/mol
Exact Mass174.03
IUPAC Name2-azaniumylethyl(difluoromethylsulfonyl)azanide
SMILES[NH3+]CC[N-]S(=O)(=O)C(F)F
InChIInChI=1S/C3H7F2N2O2S/c4-3(5)10(8,9)7-2-1-6/h3H,1-2,6H2/q-1/p+1
InChIKeyCNHFCZBVNPQBJD-UHFFFAOYSA-O
XLogP-0.85
TPSA75.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide hydrochloride
CID 86649952
N-(3-aminopropyl)-1,1-difluoromethanesulfonamide hydrochloride
CID 137935095
N-(3-aminopropyl)-1,1,1-trifluoromethanesulfonamide
CID 10998172
4-Trifluoromethanesulfonamido-1-butylamine
CID 11276038
2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 24691755
N-(2-aminoethyl)-1,1-difluoromethanesulfonamide
CID 28606994
N-ethyl-1,1-difluoromethanesulfonamide
CID 43258972
1,1-difluoro-N-propylmethanesulfonamide
CID 43258994
N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide
CID 43603512
1,1,1-trifluoro-N-[2-(methanesulfonamido)ethyl]methanesulfonamide
CID 58173846
N-(3,3,3-trifluoropropyl)methanesulfonamide
CID 64586125
N-(2,2-difluoroethyl)methanesulfonamide
CID 79090744

Frequently Asked Questions

What is the IUPAC name of 2-azaniumylethyl(difluoromethylsulfonyl)azanide?
The IUPAC name of 2-azaniumylethyl(difluoromethylsulfonyl)azanide (CID 28606993) is 2-azaniumylethyl(difluoromethylsulfonyl)azanide.
What is the SMILES notation for 2-azaniumylethyl(difluoromethylsulfonyl)azanide?
The canonical SMILES for 2-azaniumylethyl(difluoromethylsulfonyl)azanide is [NH3+]CC[N-]S(=O)(=O)C(F)F.
What is the InChIKey of 2-azaniumylethyl(difluoromethylsulfonyl)azanide?
The InChIKey is CNHFCZBVNPQBJD-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7F2N2O2S/c4-3(5)10(8,9)7-2-1-6/h3H,1-2,6H2/q-1/p+1.
What are the key properties of 2-azaniumylethyl(difluoromethylsulfonyl)azanide?
2-azaniumylethyl(difluoromethylsulfonyl)azanide has a molecular weight of 174.17 g/mol, XLogP of -0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylethyl(difluoromethylsulfonyl)azanide is sourced from PubChem (CID 28606993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).