1-cyano-4-(dimethylsulfamoylamino)butane

C7H15N3O2S — CID 63297084

IUPAC1-cyano-4-(dimethylsulfamoylamino)butane
SMILESCN(C)S(=O)(=O)NCCCCC#N
InChIInChI=1S/C7H15N3O2S/c1-10(2)13(11,12)9-7-5-3-4-6-8/h9H,3-5,7H2,1-2H3
InChIKeyWRJDFIOOMNFBLV-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.08
Rot. Bonds6

About 1-cyano-4-(dimethylsulfamoylamino)butane

1-cyano-4-(dimethylsulfamoylamino)butane (PubChem CID 63297084) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-cyano-4-(dimethylsulfamoylamino)butane.

Molecular Properties

Compound Name1-cyano-4-(dimethylsulfamoylamino)butane
PubChem CID63297084
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name1-cyano-4-(dimethylsulfamoylamino)butane
SMILESCN(C)S(=O)(=O)NCCCCC#N
InChIInChI=1S/C7H15N3O2S/c1-10(2)13(11,12)9-7-5-3-4-6-8/h9H,3-5,7H2,1-2H3
InChIKeyWRJDFIOOMNFBLV-UHFFFAOYSA-N
XLogP0.08
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-4-(sulfamoylamino)butane
CID 112689559
N,N'-bis(9-cyanononyl)methanedisulfonamide
CID 161288415
5-(ethylsulfamoylamino)pentanenitrile
CID 115638449
1-amino-6-(dimethylsulfamoylamino)hexane
CID 107844568
1-bromo-6-(dimethylsulfamoylamino)hexane
CID 107848878
5-(tert-butylsulfamoylamino)pentanenitrile
CID 114807938
5-(dimethylsulfamoylamino)pentanoic acid
CID 62034311
N-(10-cyanodecyl)decane-1-sulfonamide
CID 152541431
N-[2-[4-cyanobutyl(methyl)amino]ethyl]methanesulfonamide
CID 56789878
1-N,1-N',1-N",2-N-tetrakis(10-cyanodecyl)propane-1,1,1,2-tetrasulfonamide
CID 157401334
5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane
CID 103858830
1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-ethoxypropane
CID 134043652

Frequently Asked Questions

What is the IUPAC name of 1-cyano-4-(dimethylsulfamoylamino)butane?
The IUPAC name of 1-cyano-4-(dimethylsulfamoylamino)butane (CID 63297084) is 1-cyano-4-(dimethylsulfamoylamino)butane.
What is the SMILES notation for 1-cyano-4-(dimethylsulfamoylamino)butane?
The canonical SMILES for 1-cyano-4-(dimethylsulfamoylamino)butane is CN(C)S(=O)(=O)NCCCCC#N.
What is the InChIKey of 1-cyano-4-(dimethylsulfamoylamino)butane?
The InChIKey is WRJDFIOOMNFBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-10(2)13(11,12)9-7-5-3-4-6-8/h9H,3-5,7H2,1-2H3.
What are the key properties of 1-cyano-4-(dimethylsulfamoylamino)butane?
1-cyano-4-(dimethylsulfamoylamino)butane has a molecular weight of 205.28 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-4-(dimethylsulfamoylamino)butane is sourced from PubChem (CID 63297084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).