1-cyano-2-[propan-2-yl(sulfamoyl)amino]ethane

C6H13N3O2S — CID 112692582

IUPAC1-cyano-2-[propan-2-yl(sulfamoyl)amino]ethane
SMILESCC(C)N(CCC#N)S(N)(=O)=O
InChIInChI=1S/C6H13N3O2S/c1-6(2)9(5-3-4-7)12(8,10)11/h6H,3,5H2,1-2H3,(H2,8,10,11)
InChIKeyWUCHXJVKBJCOSZ-UHFFFAOYSA-N
MW191.26 g/mol
LogP-0.19
Rot. Bonds4

About 1-cyano-2-[propan-2-yl(sulfamoyl)amino]ethane

1-cyano-2-[propan-2-yl(sulfamoyl)amino]ethane (PubChem CID 112692582) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is 1-cyano-2-[propan-2-yl(sulfamoyl)amino]ethane.

Molecular Properties

Compound Name1-cyano-2-[propan-2-yl(sulfamoyl)amino]ethane
PubChem CID112692582
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Name1-cyano-2-[propan-2-yl(sulfamoyl)amino]ethane
SMILESCC(C)N(CCC#N)S(N)(=O)=O
InChIInChI=1S/C6H13N3O2S/c1-6(2)9(5-3-4-7)12(8,10)11/h6H,3,5H2,1-2H3,(H2,8,10,11)
InChIKeyWUCHXJVKBJCOSZ-UHFFFAOYSA-N
XLogP-0.19
TPSA87.19 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 ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-[propan-2-yl(sulfamoyl)amino]ethane?
The IUPAC name of 1-cyano-2-[propan-2-yl(sulfamoyl)amino]ethane (CID 112692582) is 1-cyano-2-[propan-2-yl(sulfamoyl)amino]ethane.
What is the SMILES notation for 1-cyano-2-[propan-2-yl(sulfamoyl)amino]ethane?
The canonical SMILES for 1-cyano-2-[propan-2-yl(sulfamoyl)amino]ethane is CC(C)N(CCC#N)S(N)(=O)=O.
What is the InChIKey of 1-cyano-2-[propan-2-yl(sulfamoyl)amino]ethane?
The InChIKey is WUCHXJVKBJCOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S/c1-6(2)9(5-3-4-7)12(8,10)11/h6H,3,5H2,1-2H3,(H2,8,10,11).
What are the key properties of 1-cyano-2-[propan-2-yl(sulfamoyl)amino]ethane?
1-cyano-2-[propan-2-yl(sulfamoyl)amino]ethane has a molecular weight of 191.26 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-[propan-2-yl(sulfamoyl)amino]ethane is sourced from PubChem (CID 112692582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).