N-morpholin-4-ylsulfanyl-N-prop-2-enylcarbamoyl fluoride

C8H13FN2O2S — CID 88796853

IUPACN-morpholin-4-ylsulfanyl-N-prop-2-enylcarbamoyl fluoride
SMILESC=CCN(SN1CCOCC1)C(=O)F
InChIInChI=1S/C8H13FN2O2S/c1-2-3-11(8(9)12)14-10-4-6-13-7-5-10/h2H,1,3-7H2
InChIKeyAMWHYQUBFMFWKR-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.46
Rot. Bonds4

About N-morpholin-4-ylsulfanyl-N-prop-2-enylcarbamoyl fluoride

N-morpholin-4-ylsulfanyl-N-prop-2-enylcarbamoyl fluoride (PubChem CID 88796853) has the molecular formula C8H13FN2O2S and a molecular weight of 220.27 g/mol. Its IUPAC name is N-morpholin-4-ylsulfanyl-N-prop-2-enylcarbamoyl fluoride.

Molecular Properties

Compound NameN-morpholin-4-ylsulfanyl-N-prop-2-enylcarbamoyl fluoride
PubChem CID88796853
Molecular FormulaC8H13FN2O2S
Molecular Weight220.27 g/mol
Exact Mass220.07
IUPAC NameN-morpholin-4-ylsulfanyl-N-prop-2-enylcarbamoyl fluoride
SMILESC=CCN(SN1CCOCC1)C(=O)F
InChIInChI=1S/C8H13FN2O2S/c1-2-3-11(8(9)12)14-10-4-6-13-7-5-10/h2H,1,3-7H2
InChIKeyAMWHYQUBFMFWKR-UHFFFAOYSA-N
XLogP1.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-ylsulfanyl-N-prop-2-enylcarbamoyl fluoride?
The IUPAC name of N-morpholin-4-ylsulfanyl-N-prop-2-enylcarbamoyl fluoride (CID 88796853) is N-morpholin-4-ylsulfanyl-N-prop-2-enylcarbamoyl fluoride.
What is the SMILES notation for N-morpholin-4-ylsulfanyl-N-prop-2-enylcarbamoyl fluoride?
The canonical SMILES for N-morpholin-4-ylsulfanyl-N-prop-2-enylcarbamoyl fluoride is C=CCN(SN1CCOCC1)C(=O)F.
What is the InChIKey of N-morpholin-4-ylsulfanyl-N-prop-2-enylcarbamoyl fluoride?
The InChIKey is AMWHYQUBFMFWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O2S/c1-2-3-11(8(9)12)14-10-4-6-13-7-5-10/h2H,1,3-7H2.
What are the key properties of N-morpholin-4-ylsulfanyl-N-prop-2-enylcarbamoyl fluoride?
N-morpholin-4-ylsulfanyl-N-prop-2-enylcarbamoyl fluoride has a molecular weight of 220.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-ylsulfanyl-N-prop-2-enylcarbamoyl fluoride is sourced from PubChem (CID 88796853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).