N-(2-aminoethyl)methanesulfonamide;2,2,2-trifluoroacetic acid

C5H11F3N2O4S — CID 137376504

IUPACN-(2-aminoethyl)methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)NCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C3H10N2O2S.C2HF3O2/c1-8(6,7)5-3-2-4;3-2(4,5)1(6)7/h5H,2-4H2,1H3;(H,6,7)
InChIKeyLGUGELJIDUERHN-UHFFFAOYSA-N
MW252.21 g/mol
LogP-0.87
Rot. Bonds3

About N-(2-aminoethyl)methanesulfonamide;2,2,2-trifluoroacetic acid

N-(2-aminoethyl)methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 137376504) has the molecular formula C5H11F3N2O4S and a molecular weight of 252.21 g/mol. Its IUPAC name is N-(2-aminoethyl)methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2-aminoethyl)methanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID137376504
Molecular FormulaC5H11F3N2O4S
Molecular Weight252.21 g/mol
Exact Mass252.04
IUPAC NameN-(2-aminoethyl)methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)NCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C3H10N2O2S.C2HF3O2/c1-8(6,7)5-3-2-4;3-2(4,5)1(6)7/h5H,2-4H2,1H3;(H,6,7)
InChIKeyLGUGELJIDUERHN-UHFFFAOYSA-N
XLogP-0.87
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)methanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2-aminoethyl)methanesulfonamide;2,2,2-trifluoroacetic acid (CID 137376504) is N-(2-aminoethyl)methanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2-aminoethyl)methanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2-aminoethyl)methanesulfonamide;2,2,2-trifluoroacetic acid is CS(=O)(=O)NCCN.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)methanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is LGUGELJIDUERHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O2S.C2HF3O2/c1-8(6,7)5-3-2-4;3-2(4,5)1(6)7/h5H,2-4H2,1H3;(H,6,7).
What are the key properties of N-(2-aminoethyl)methanesulfonamide;2,2,2-trifluoroacetic acid?
N-(2-aminoethyl)methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 252.21 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 137376504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).