N-(1-cyanopropyl)-N-methylsulfamoyl chloride

C5H9ClN2O2S — CID 165441442

IUPACN-(1-cyanopropyl)-N-methylsulfamoyl chloride
SMILESCCC(C#N)N(C)S(=O)(=O)Cl
InChIInChI=1S/C5H9ClN2O2S/c1-3-5(4-7)8(2)11(6,9)10/h5H,3H2,1-2H3
InChIKeyMYYIFYRLHFBVBG-UHFFFAOYSA-N
MW196.66 g/mol
LogP0.70
Rot. Bonds3

About N-(1-cyanopropyl)-N-methylsulfamoyl chloride

N-(1-cyanopropyl)-N-methylsulfamoyl chloride (PubChem CID 165441442) has the molecular formula C5H9ClN2O2S and a molecular weight of 196.66 g/mol. Its IUPAC name is N-(1-cyanopropyl)-N-methylsulfamoyl chloride.

Molecular Properties

Compound NameN-(1-cyanopropyl)-N-methylsulfamoyl chloride
PubChem CID165441442
Molecular FormulaC5H9ClN2O2S
Molecular Weight196.66 g/mol
Exact Mass196.01
IUPAC NameN-(1-cyanopropyl)-N-methylsulfamoyl chloride
SMILESCCC(C#N)N(C)S(=O)(=O)Cl
InChIInChI=1S/C5H9ClN2O2S/c1-3-5(4-7)8(2)11(6,9)10/h5H,3H2,1-2H3
InChIKeyMYYIFYRLHFBVBG-UHFFFAOYSA-N
XLogP0.70
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.66
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)-N-methylsulfamoyl chloride?
The IUPAC name of N-(1-cyanopropyl)-N-methylsulfamoyl chloride (CID 165441442) is N-(1-cyanopropyl)-N-methylsulfamoyl chloride.
What is the SMILES notation for N-(1-cyanopropyl)-N-methylsulfamoyl chloride?
The canonical SMILES for N-(1-cyanopropyl)-N-methylsulfamoyl chloride is CCC(C#N)N(C)S(=O)(=O)Cl.
What is the InChIKey of N-(1-cyanopropyl)-N-methylsulfamoyl chloride?
The InChIKey is MYYIFYRLHFBVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN2O2S/c1-3-5(4-7)8(2)11(6,9)10/h5H,3H2,1-2H3.
What are the key properties of N-(1-cyanopropyl)-N-methylsulfamoyl chloride?
N-(1-cyanopropyl)-N-methylsulfamoyl chloride has a molecular weight of 196.66 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)-N-methylsulfamoyl chloride is sourced from PubChem (CID 165441442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).