N-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride

C5H8FNO4S — CID 154981836

IUPACN-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride
SMILESC=CCOC(=NS(=O)(=O)F)OC
InChIInChI=1S/C5H8FNO4S/c1-3-4-11-5(10-2)7-12(6,8)9/h3H,1,4H2,2H3
InChIKeyXMBMUQKSSWOTQJ-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.41
Rot. Bonds3

About N-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride

N-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride (PubChem CID 154981836) has the molecular formula C5H8FNO4S and a molecular weight of 197.19 g/mol. Its IUPAC name is N-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride.

Molecular Properties

Compound NameN-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride
PubChem CID154981836
Molecular FormulaC5H8FNO4S
Molecular Weight197.19 g/mol
Exact Mass197.02
IUPAC NameN-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride
SMILESC=CCOC(=NS(=O)(=O)F)OC
InChIInChI=1S/C5H8FNO4S/c1-3-4-11-5(10-2)7-12(6,8)9/h3H,1,4H2,2H3
InChIKeyXMBMUQKSSWOTQJ-UHFFFAOYSA-N
XLogP0.41
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(trifluoromethylsulfonyloxy)pent-4-enoate
CID 59544976
dimethoxy(sulfamoylimino)methane
CID 134892030
bis(prop-2-enyl) 2-hydroxypropanedioate
CID 14329928
prop-2-enyl 2-aminopropanoate
CID 91515395
ethyl methyl carbonate;prop-2-enyl hydrogen carbonate
CID 174592666
(1E)-1-prop-2-enoxy-N-prop-2-enoxysulfonylmethanimidate
CID 177113124
prop-2-enyl N-chlorosulfonylcarbamate
CID 55279199
1,1-dimethoxyethane;prop-2-enyl acetate
CID 87678916
CID 102351890
CID 102351890
methyl 2-sulfamoylhex-5-enoate
CID 130367736
3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride
CID 161465495
prop-2-enyl (2S)-3-methyl-2-nitrosobutanoate
CID 166857606

Frequently Asked Questions

What is the IUPAC name of N-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride?
The IUPAC name of N-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride (CID 154981836) is N-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride.
What is the SMILES notation for N-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride?
The canonical SMILES for N-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride is C=CCOC(=NS(=O)(=O)F)OC.
What is the InChIKey of N-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride?
The InChIKey is XMBMUQKSSWOTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO4S/c1-3-4-11-5(10-2)7-12(6,8)9/h3H,1,4H2,2H3.
What are the key properties of N-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride?
N-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride has a molecular weight of 197.19 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methoxy(prop-2-enoxy)methylidene]sulfamoyl fluoride is sourced from PubChem (CID 154981836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).