1-cyano-1-(dimethylsulfamoylamino)propane

C6H13N3O2S — CID 61124450

IUPAC1-cyano-1-(dimethylsulfamoylamino)propane
SMILESCCC(C#N)NS(=O)(=O)N(C)C
InChIInChI=1S/C6H13N3O2S/c1-4-6(5-7)8-12(10,11)9(2)3/h6,8H,4H2,1-3H3
InChIKeyTXTOELNJVRYYJF-UHFFFAOYSA-N
MW191.26 g/mol
LogP-0.32
Rot. Bonds4

About 1-cyano-1-(dimethylsulfamoylamino)propane

1-cyano-1-(dimethylsulfamoylamino)propane (PubChem CID 61124450) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is 1-cyano-1-(dimethylsulfamoylamino)propane.

Molecular Properties

Compound Name1-cyano-1-(dimethylsulfamoylamino)propane
PubChem CID61124450
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Name1-cyano-1-(dimethylsulfamoylamino)propane
SMILESCCC(C#N)NS(=O)(=O)N(C)C
InChIInChI=1S/C6H13N3O2S/c1-4-6(5-7)8-12(10,11)9(2)3/h6,8H,4H2,1-3H3
InChIKeyTXTOELNJVRYYJF-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

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-(dimethylsulfamoylamino)propane?
The IUPAC name of 1-cyano-1-(dimethylsulfamoylamino)propane (CID 61124450) is 1-cyano-1-(dimethylsulfamoylamino)propane.
What is the SMILES notation for 1-cyano-1-(dimethylsulfamoylamino)propane?
The canonical SMILES for 1-cyano-1-(dimethylsulfamoylamino)propane is CCC(C#N)NS(=O)(=O)N(C)C.
What is the InChIKey of 1-cyano-1-(dimethylsulfamoylamino)propane?
The InChIKey is TXTOELNJVRYYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S/c1-4-6(5-7)8-12(10,11)9(2)3/h6,8H,4H2,1-3H3.
What are the key properties of 1-cyano-1-(dimethylsulfamoylamino)propane?
1-cyano-1-(dimethylsulfamoylamino)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 1-cyano-1-(dimethylsulfamoylamino)propane is sourced from PubChem (CID 61124450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).