N-(diethylaminosulfanyl)carbamoyl fluoride

C5H11FN2OS — CID 131711024

IUPACN-(diethylaminosulfanyl)carbamoyl fluoride
SMILESCCN(CC)SNC(=O)F
InChIInChI=1S/C5H11FN2OS/c1-3-8(4-2)10-7-5(6)9/h3-4H2,1-2H3,(H,7,9)
InChIKeyBWNXRSXVQSLGPM-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.57
Rot. Bonds4

About N-(diethylaminosulfanyl)carbamoyl fluoride

N-(diethylaminosulfanyl)carbamoyl fluoride (PubChem CID 131711024) has the molecular formula C5H11FN2OS and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(diethylaminosulfanyl)carbamoyl fluoride.

Molecular Properties

Compound NameN-(diethylaminosulfanyl)carbamoyl fluoride
PubChem CID131711024
Molecular FormulaC5H11FN2OS
Molecular Weight166.22 g/mol
Exact Mass166.06
IUPAC NameN-(diethylaminosulfanyl)carbamoyl fluoride
SMILESCCN(CC)SNC(=O)F
InChIInChI=1S/C5H11FN2OS/c1-3-8(4-2)10-7-5(6)9/h3-4H2,1-2H3,(H,7,9)
InChIKeyBWNXRSXVQSLGPM-UHFFFAOYSA-N
XLogP1.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
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-(diethylaminosulfanyl)carbamoyl fluoride?
The IUPAC name of N-(diethylaminosulfanyl)carbamoyl fluoride (CID 131711024) is N-(diethylaminosulfanyl)carbamoyl fluoride.
What is the SMILES notation for N-(diethylaminosulfanyl)carbamoyl fluoride?
The canonical SMILES for N-(diethylaminosulfanyl)carbamoyl fluoride is CCN(CC)SNC(=O)F.
What is the InChIKey of N-(diethylaminosulfanyl)carbamoyl fluoride?
The InChIKey is BWNXRSXVQSLGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2OS/c1-3-8(4-2)10-7-5(6)9/h3-4H2,1-2H3,(H,7,9).
What are the key properties of N-(diethylaminosulfanyl)carbamoyl fluoride?
N-(diethylaminosulfanyl)carbamoyl fluoride has a molecular weight of 166.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylaminosulfanyl)carbamoyl fluoride is sourced from PubChem (CID 131711024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).