N-[2-(4,4,4-trifluorobutylsulfonylamino)ethyl]cyclopropanecarboxamide

C10H17F3N2O3S — CID 115967513

IUPACN-[2-(4,4,4-trifluorobutylsulfonylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNS(=O)(=O)CCCC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3N2O3S/c11-10(12,13)4-1-7-19(17,18)15-6-5-14-9(16)8-2-3-8/h8,15H,1-7H2,(H,14,16)
InChIKeyGJVOKRZUYCLTDC-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.77
Rot. Bonds8

About N-[2-(4,4,4-trifluorobutylsulfonylamino)ethyl]cyclopropanecarboxamide

N-[2-(4,4,4-trifluorobutylsulfonylamino)ethyl]cyclopropanecarboxamide (PubChem CID 115967513) has the molecular formula C10H17F3N2O3S and a molecular weight of 302.32 g/mol. Its IUPAC name is N-[2-(4,4,4-trifluorobutylsulfonylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4,4,4-trifluorobutylsulfonylamino)ethyl]cyclopropanecarboxamide
PubChem CID115967513
Molecular FormulaC10H17F3N2O3S
Molecular Weight302.32 g/mol
Exact Mass302.09
IUPAC NameN-[2-(4,4,4-trifluorobutylsulfonylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNS(=O)(=O)CCCC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3N2O3S/c11-10(12,13)4-1-7-19(17,18)15-6-5-14-9(16)8-2-3-8/h8,15H,1-7H2,(H,14,16)
InChIKeyGJVOKRZUYCLTDC-UHFFFAOYSA-N
XLogP0.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4,4-trifluorobutylsulfonylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4,4,4-trifluorobutylsulfonylamino)ethyl]cyclopropanecarboxamide (CID 115967513) is N-[2-(4,4,4-trifluorobutylsulfonylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4,4,4-trifluorobutylsulfonylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4,4,4-trifluorobutylsulfonylamino)ethyl]cyclopropanecarboxamide is O=C(NCCNS(=O)(=O)CCCC(F)(F)F)C1CC1.
What is the InChIKey of N-[2-(4,4,4-trifluorobutylsulfonylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is GJVOKRZUYCLTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3S/c11-10(12,13)4-1-7-19(17,18)15-6-5-14-9(16)8-2-3-8/h8,15H,1-7H2,(H,14,16).
What are the key properties of N-[2-(4,4,4-trifluorobutylsulfonylamino)ethyl]cyclopropanecarboxamide?
N-[2-(4,4,4-trifluorobutylsulfonylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 302.32 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4,4-trifluorobutylsulfonylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115967513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).