N-methyl-N-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl fluoride

C7H13FN2O2S — CID 71319657

IUPACN-methyl-N-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl fluoride
SMILESCC(C)C(=O)N(C)SN(C)C(=O)F
InChIInChI=1S/C7H13FN2O2S/c1-5(2)6(11)9(3)13-10(4)7(8)12/h5H,1-4H3
InChIKeyYLOWLENINNPMSU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.69
Rot. Bonds3

About N-methyl-N-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl fluoride

N-methyl-N-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl fluoride (PubChem CID 71319657) has the molecular formula C7H13FN2O2S and a molecular weight of 208.26 g/mol. Its IUPAC name is N-methyl-N-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl fluoride.

Molecular Properties

Compound NameN-methyl-N-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl fluoride
PubChem CID71319657
Molecular FormulaC7H13FN2O2S
Molecular Weight208.26 g/mol
Exact Mass208.07
IUPAC NameN-methyl-N-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl fluoride
SMILESCC(C)C(=O)N(C)SN(C)C(=O)F
InChIInChI=1S/C7H13FN2O2S/c1-5(2)6(11)9(3)13-10(4)7(8)12/h5H,1-4H3
InChIKeyYLOWLENINNPMSU-UHFFFAOYSA-N
XLogP1.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.69
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'}

Analyze N-methyl-N-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl fluoride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl fluoride?
The IUPAC name of N-methyl-N-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl fluoride (CID 71319657) is N-methyl-N-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl fluoride.
What is the SMILES notation for N-methyl-N-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl fluoride?
The canonical SMILES for N-methyl-N-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl fluoride is CC(C)C(=O)N(C)SN(C)C(=O)F.
What is the InChIKey of N-methyl-N-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl fluoride?
The InChIKey is YLOWLENINNPMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O2S/c1-5(2)6(11)9(3)13-10(4)7(8)12/h5H,1-4H3.
What are the key properties of N-methyl-N-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl fluoride?
N-methyl-N-[methyl(2-methylpropanoyl)amino]sulfanylcarbamoyl fluoride has a molecular weight of 208.26 g/mol, XLogP of 1.69, 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(2-methylpropanoyl)amino]sulfanylcarbamoyl fluoride is sourced from PubChem (CID 71319657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).