2-amino-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide

C6H11F3N2O2S — CID 106217432

IUPAC2-amino-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
SMILESNCCS(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)5(1-2-5)11-14(12,13)4-3-10/h11H,1-4,10H2
InChIKeyMOMXKLJVVOPBLG-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.04
Rot. Bonds4

About 2-amino-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide

2-amino-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide (PubChem CID 106217432) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-amino-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
PubChem CID106217432
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC Name2-amino-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
SMILESNCCS(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)5(1-2-5)11-14(12,13)4-3-10/h11H,1-4,10H2
InChIKeyMOMXKLJVVOPBLG-UHFFFAOYSA-N
XLogP-0.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide (CID 106217432) is 2-amino-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide is NCCS(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-amino-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide?
The InChIKey is MOMXKLJVVOPBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2S/c7-6(8,9)5(1-2-5)11-14(12,13)4-3-10/h11H,1-4,10H2.
What are the key properties of 2-amino-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide?
2-amino-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide has a molecular weight of 232.23 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide is sourced from PubChem (CID 106217432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).