N-methyl-N-[methyl(propanoyl)amino]sulfanylcarbamoyl fluoride

C6H11FN2O2S — CID 71319655

IUPACN-methyl-N-[methyl(propanoyl)amino]sulfanylcarbamoyl fluoride
SMILESCCC(=O)N(C)SN(C)C(=O)F
InChIInChI=1S/C6H11FN2O2S/c1-4-5(10)8(2)12-9(3)6(7)11/h4H2,1-3H3
InChIKeyPFIQQAHXYONEFE-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.44
Rot. Bonds3

About N-methyl-N-[methyl(propanoyl)amino]sulfanylcarbamoyl fluoride

N-methyl-N-[methyl(propanoyl)amino]sulfanylcarbamoyl fluoride (PubChem CID 71319655) has the molecular formula C6H11FN2O2S and a molecular weight of 194.23 g/mol. Its IUPAC name is N-methyl-N-[methyl(propanoyl)amino]sulfanylcarbamoyl fluoride.

Molecular Properties

Compound NameN-methyl-N-[methyl(propanoyl)amino]sulfanylcarbamoyl fluoride
PubChem CID71319655
Molecular FormulaC6H11FN2O2S
Molecular Weight194.23 g/mol
Exact Mass194.05
IUPAC NameN-methyl-N-[methyl(propanoyl)amino]sulfanylcarbamoyl fluoride
SMILESCCC(=O)N(C)SN(C)C(=O)F
InChIInChI=1S/C6H11FN2O2S/c1-4-5(10)8(2)12-9(3)6(7)11/h4H2,1-3H3
InChIKeyPFIQQAHXYONEFE-UHFFFAOYSA-N
XLogP1.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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-methyl-N-[methyl(propanoyl)amino]sulfanylcarbamoyl fluoride?
The IUPAC name of N-methyl-N-[methyl(propanoyl)amino]sulfanylcarbamoyl fluoride (CID 71319655) is N-methyl-N-[methyl(propanoyl)amino]sulfanylcarbamoyl fluoride.
What is the SMILES notation for N-methyl-N-[methyl(propanoyl)amino]sulfanylcarbamoyl fluoride?
The canonical SMILES for N-methyl-N-[methyl(propanoyl)amino]sulfanylcarbamoyl fluoride is CCC(=O)N(C)SN(C)C(=O)F.
What is the InChIKey of N-methyl-N-[methyl(propanoyl)amino]sulfanylcarbamoyl fluoride?
The InChIKey is PFIQQAHXYONEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O2S/c1-4-5(10)8(2)12-9(3)6(7)11/h4H2,1-3H3.
What are the key properties of N-methyl-N-[methyl(propanoyl)amino]sulfanylcarbamoyl fluoride?
N-methyl-N-[methyl(propanoyl)amino]sulfanylcarbamoyl fluoride has a molecular weight of 194.23 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[methyl(propanoyl)amino]sulfanylcarbamoyl fluoride is sourced from PubChem (CID 71319655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).