2-[cyanomethylsulfamoyl(methyl)amino]propane

C6H13N3O2S — CID 61453706

IUPAC2-[cyanomethylsulfamoyl(methyl)amino]propane
SMILESCC(C)N(C)S(=O)(=O)NCC#N
InChIInChI=1S/C6H13N3O2S/c1-6(2)9(3)12(10,11)8-5-4-7/h6,8H,5H2,1-3H3
InChIKeyVPHQRPGOCKCIOF-UHFFFAOYSA-N
MW191.26 g/mol
LogP-0.32
Rot. Bonds4

About 2-[cyanomethylsulfamoyl(methyl)amino]propane

2-[cyanomethylsulfamoyl(methyl)amino]propane (PubChem CID 61453706) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-[cyanomethylsulfamoyl(methyl)amino]propane.

Molecular Properties

Compound Name2-[cyanomethylsulfamoyl(methyl)amino]propane
PubChem CID61453706
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Name2-[cyanomethylsulfamoyl(methyl)amino]propane
SMILESCC(C)N(C)S(=O)(=O)NCC#N
InChIInChI=1S/C6H13N3O2S/c1-6(2)9(3)12(10,11)8-5-4-7/h6,8H,5H2,1-3H3
InChIKeyVPHQRPGOCKCIOF-UHFFFAOYSA-N
XLogP-0.32
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[cyanomethylsulfamoyl(methyl)amino]propane?
The IUPAC name of 2-[cyanomethylsulfamoyl(methyl)amino]propane (CID 61453706) is 2-[cyanomethylsulfamoyl(methyl)amino]propane.
What is the SMILES notation for 2-[cyanomethylsulfamoyl(methyl)amino]propane?
The canonical SMILES for 2-[cyanomethylsulfamoyl(methyl)amino]propane is CC(C)N(C)S(=O)(=O)NCC#N.
What is the InChIKey of 2-[cyanomethylsulfamoyl(methyl)amino]propane?
The InChIKey is VPHQRPGOCKCIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S/c1-6(2)9(3)12(10,11)8-5-4-7/h6,8H,5H2,1-3H3.
What are the key properties of 2-[cyanomethylsulfamoyl(methyl)amino]propane?
2-[cyanomethylsulfamoyl(methyl)amino]propane has a molecular weight of 191.26 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyanomethylsulfamoyl(methyl)amino]propane is sourced from PubChem (CID 61453706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).