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

C8H15FN2O2S — CID 71319658

IUPACN-methyl-N-[methyl(pentanoyl)amino]sulfanylcarbamoyl fluoride
SMILESCCCCC(=O)N(C)SN(C)C(=O)F
InChIInChI=1S/C8H15FN2O2S/c1-4-5-6-7(12)10(2)14-11(3)8(9)13/h4-6H2,1-3H3
InChIKeySLIIYGHPPMRADG-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.22
Rot. Bonds5

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

N-methyl-N-[methyl(pentanoyl)amino]sulfanylcarbamoyl fluoride (PubChem CID 71319658) has the molecular formula C8H15FN2O2S and a molecular weight of 222.28 g/mol. Its IUPAC name is N-methyl-N-[methyl(pentanoyl)amino]sulfanylcarbamoyl fluoride.

Molecular Properties

Compound NameN-methyl-N-[methyl(pentanoyl)amino]sulfanylcarbamoyl fluoride
PubChem CID71319658
Molecular FormulaC8H15FN2O2S
Molecular Weight222.28 g/mol
Exact Mass222.08
IUPAC NameN-methyl-N-[methyl(pentanoyl)amino]sulfanylcarbamoyl fluoride
SMILESCCCCC(=O)N(C)SN(C)C(=O)F
InChIInChI=1S/C8H15FN2O2S/c1-4-5-6-7(12)10(2)14-11(3)8(9)13/h4-6H2,1-3H3
InChIKeySLIIYGHPPMRADG-UHFFFAOYSA-N
XLogP2.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.22
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(pentanoyl)amino]sulfanylcarbamoyl fluoride?
The IUPAC name of N-methyl-N-[methyl(pentanoyl)amino]sulfanylcarbamoyl fluoride (CID 71319658) is N-methyl-N-[methyl(pentanoyl)amino]sulfanylcarbamoyl fluoride.
What is the SMILES notation for N-methyl-N-[methyl(pentanoyl)amino]sulfanylcarbamoyl fluoride?
The canonical SMILES for N-methyl-N-[methyl(pentanoyl)amino]sulfanylcarbamoyl fluoride is CCCCC(=O)N(C)SN(C)C(=O)F.
What is the InChIKey of N-methyl-N-[methyl(pentanoyl)amino]sulfanylcarbamoyl fluoride?
The InChIKey is SLIIYGHPPMRADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O2S/c1-4-5-6-7(12)10(2)14-11(3)8(9)13/h4-6H2,1-3H3.
What are the key properties of N-methyl-N-[methyl(pentanoyl)amino]sulfanylcarbamoyl fluoride?
N-methyl-N-[methyl(pentanoyl)amino]sulfanylcarbamoyl fluoride has a molecular weight of 222.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[methyl(pentanoyl)amino]sulfanylcarbamoyl fluoride is sourced from PubChem (CID 71319658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).