N-ethylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid

C7H14F3NO3S — CID 155167842

IUPACN-ethylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid
SMILESCCNS(=O)C(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C5H13NOS.C2HF3O2/c1-4-6-8(7)5(2)3;3-2(4,5)1(6)7/h5-6H,4H2,1-3H3;(H,6,7)
InChIKeyUOGICRAHRXBEDN-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.30
Rot. Bonds3

About N-ethylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid

N-ethylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid (PubChem CID 155167842) has the molecular formula C7H14F3NO3S and a molecular weight of 249.25 g/mol. Its IUPAC name is N-ethylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-ethylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid
PubChem CID155167842
Molecular FormulaC7H14F3NO3S
Molecular Weight249.25 g/mol
Exact Mass249.06
IUPAC NameN-ethylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid
SMILESCCNS(=O)C(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C5H13NOS.C2HF3O2/c1-4-6-8(7)5(2)3;3-2(4,5)1(6)7/h5-6H,4H2,1-3H3;(H,6,7)
InChIKeyUOGICRAHRXBEDN-UHFFFAOYSA-N
XLogP1.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-ethylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid (CID 155167842) is N-ethylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-ethylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-ethylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid is CCNS(=O)C(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of N-ethylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid?
The InChIKey is UOGICRAHRXBEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS.C2HF3O2/c1-4-6-8(7)5(2)3;3-2(4,5)1(6)7/h5-6H,4H2,1-3H3;(H,6,7).
What are the key properties of N-ethylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid?
N-ethylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid has a molecular weight of 249.25 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpropane-2-sulfinamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155167842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).