2-cyano-1-(dimethylsulfamoylamino)propane

C6H13N3O2S — CID 62652220

IUPAC2-cyano-1-(dimethylsulfamoylamino)propane
SMILESCC(C#N)CNS(=O)(=O)N(C)C
InChIInChI=1S/C6H13N3O2S/c1-6(4-7)5-8-12(10,11)9(2)3/h6,8H,5H2,1-3H3
InChIKeyWAYWYIRNWSZXSA-UHFFFAOYSA-N
MW191.26 g/mol
LogP-0.46
Rot. Bonds4

About 2-cyano-1-(dimethylsulfamoylamino)propane

2-cyano-1-(dimethylsulfamoylamino)propane (PubChem CID 62652220) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-cyano-1-(dimethylsulfamoylamino)propane.

Molecular Properties

Compound Name2-cyano-1-(dimethylsulfamoylamino)propane
PubChem CID62652220
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Name2-cyano-1-(dimethylsulfamoylamino)propane
SMILESCC(C#N)CNS(=O)(=O)N(C)C
InChIInChI=1S/C6H13N3O2S/c1-6(4-7)5-8-12(10,11)9(2)3/h6,8H,5H2,1-3H3
InChIKeyWAYWYIRNWSZXSA-UHFFFAOYSA-N
XLogP-0.46
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 ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-1-(dimethylsulfamoylamino)propane?
The IUPAC name of 2-cyano-1-(dimethylsulfamoylamino)propane (CID 62652220) is 2-cyano-1-(dimethylsulfamoylamino)propane.
What is the SMILES notation for 2-cyano-1-(dimethylsulfamoylamino)propane?
The canonical SMILES for 2-cyano-1-(dimethylsulfamoylamino)propane is CC(C#N)CNS(=O)(=O)N(C)C.
What is the InChIKey of 2-cyano-1-(dimethylsulfamoylamino)propane?
The InChIKey is WAYWYIRNWSZXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S/c1-6(4-7)5-8-12(10,11)9(2)3/h6,8H,5H2,1-3H3.
What are the key properties of 2-cyano-1-(dimethylsulfamoylamino)propane?
2-cyano-1-(dimethylsulfamoylamino)propane has a molecular weight of 191.26 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-(dimethylsulfamoylamino)propane is sourced from PubChem (CID 62652220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).