N-propyl-N-prop-2-ynylsulfamoyl fluoride

C6H10FNO2S — CID 137491975

IUPACN-propyl-N-prop-2-ynylsulfamoyl fluoride
SMILESC#CCN(CCC)S(=O)(=O)F
InChIInChI=1S/C6H10FNO2S/c1-3-5-8(6-4-2)11(7,9)10/h1H,4-6H2,2H3
InChIKeyLRZBUIRDDNGKOK-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.55
Rot. Bonds4

About N-propyl-N-prop-2-ynylsulfamoyl fluoride

N-propyl-N-prop-2-ynylsulfamoyl fluoride (PubChem CID 137491975) has the molecular formula C6H10FNO2S and a molecular weight of 179.22 g/mol. Its IUPAC name is N-propyl-N-prop-2-ynylsulfamoyl fluoride.

Molecular Properties

Compound NameN-propyl-N-prop-2-ynylsulfamoyl fluoride
PubChem CID137491975
Molecular FormulaC6H10FNO2S
Molecular Weight179.22 g/mol
Exact Mass179.04
IUPAC NameN-propyl-N-prop-2-ynylsulfamoyl fluoride
SMILESC#CCN(CCC)S(=O)(=O)F
InChIInChI=1S/C6H10FNO2S/c1-3-5-8(6-4-2)11(7,9)10/h1H,4-6H2,2H3
InChIKeyLRZBUIRDDNGKOK-UHFFFAOYSA-N
XLogP0.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-prop-2-ynylsulfamoyl fluoride?
The IUPAC name of N-propyl-N-prop-2-ynylsulfamoyl fluoride (CID 137491975) is N-propyl-N-prop-2-ynylsulfamoyl fluoride.
What is the SMILES notation for N-propyl-N-prop-2-ynylsulfamoyl fluoride?
The canonical SMILES for N-propyl-N-prop-2-ynylsulfamoyl fluoride is C#CCN(CCC)S(=O)(=O)F.
What is the InChIKey of N-propyl-N-prop-2-ynylsulfamoyl fluoride?
The InChIKey is LRZBUIRDDNGKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2S/c1-3-5-8(6-4-2)11(7,9)10/h1H,4-6H2,2H3.
What are the key properties of N-propyl-N-prop-2-ynylsulfamoyl fluoride?
N-propyl-N-prop-2-ynylsulfamoyl fluoride has a molecular weight of 179.22 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-prop-2-ynylsulfamoyl fluoride is sourced from PubChem (CID 137491975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).