1-cyano-1-(dimethylsulfamoylamino)butane

C7H15N3O2S — CID 61123466

IUPAC1-cyano-1-(dimethylsulfamoylamino)butane
SMILESCCCC(C#N)NS(=O)(=O)N(C)C
InChIInChI=1S/C7H15N3O2S/c1-4-5-7(6-8)9-13(11,12)10(2)3/h7,9H,4-5H2,1-3H3
InChIKeyTUVWIXZWZLDINA-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.07
Rot. Bonds5

About 1-cyano-1-(dimethylsulfamoylamino)butane

1-cyano-1-(dimethylsulfamoylamino)butane (PubChem CID 61123466) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-cyano-1-(dimethylsulfamoylamino)butane.

Molecular Properties

Compound Name1-cyano-1-(dimethylsulfamoylamino)butane
PubChem CID61123466
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name1-cyano-1-(dimethylsulfamoylamino)butane
SMILESCCCC(C#N)NS(=O)(=O)N(C)C
InChIInChI=1S/C7H15N3O2S/c1-4-5-7(6-8)9-13(11,12)10(2)3/h7,9H,4-5H2,1-3H3
InChIKeyTUVWIXZWZLDINA-UHFFFAOYSA-N
XLogP0.07
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Dimethylsulfamoylamino)pentane
CID 4635587
1-Cyanobutylazanium sulfite
CID 10171287
1-Cyano-1-(diethylsulfamoylamino)ethane
CID 61122842
1-Cyano-1-(diethylsulfamoylamino)butane
CID 61123072
1-Cyano-1-(dimethylsulfamoylamino)ethane
CID 61123241
1-Cyano-1-(diethylsulfamoylamino)propane
CID 61124252
1-Cyano-1-(dimethylsulfamoylamino)propane
CID 61124450
2-[Cyanomethylsulfamoyl(methyl)amino]propane
CID 61453706
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethane
CID 61453748
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 61453749
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 61453750
1-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 62093898

Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-(dimethylsulfamoylamino)butane?
The IUPAC name of 1-cyano-1-(dimethylsulfamoylamino)butane (CID 61123466) is 1-cyano-1-(dimethylsulfamoylamino)butane.
What is the SMILES notation for 1-cyano-1-(dimethylsulfamoylamino)butane?
The canonical SMILES for 1-cyano-1-(dimethylsulfamoylamino)butane is CCCC(C#N)NS(=O)(=O)N(C)C.
What is the InChIKey of 1-cyano-1-(dimethylsulfamoylamino)butane?
The InChIKey is TUVWIXZWZLDINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-4-5-7(6-8)9-13(11,12)10(2)3/h7,9H,4-5H2,1-3H3.
What are the key properties of 1-cyano-1-(dimethylsulfamoylamino)butane?
1-cyano-1-(dimethylsulfamoylamino)butane has a molecular weight of 205.28 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-(dimethylsulfamoylamino)butane is sourced from PubChem (CID 61123466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).