5-(tert-butylsulfamoylamino)pentanenitrile

C9H19N3O2S — CID 114807938

IUPAC5-(tert-butylsulfamoylamino)pentanenitrile
SMILESCC(C)(C)NS(=O)(=O)NCCCCC#N
InChIInChI=1S/C9H19N3O2S/c1-9(2,3)12-15(13,14)11-8-6-4-5-7-10/h11-12H,4-6,8H2,1-3H3
InChIKeyJYIDTONGONYILT-UHFFFAOYSA-N
MW233.34 g/mol
LogP0.90
Rot. Bonds6

About 5-(tert-butylsulfamoylamino)pentanenitrile

5-(tert-butylsulfamoylamino)pentanenitrile (PubChem CID 114807938) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 5-(tert-butylsulfamoylamino)pentanenitrile.

Molecular Properties

Compound Name5-(tert-butylsulfamoylamino)pentanenitrile
PubChem CID114807938
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name5-(tert-butylsulfamoylamino)pentanenitrile
SMILESCC(C)(C)NS(=O)(=O)NCCCCC#N
InChIInChI=1S/C9H19N3O2S/c1-9(2,3)12-15(13,14)11-8-6-4-5-7-10/h11-12H,4-6,8H2,1-3H3
InChIKeyJYIDTONGONYILT-UHFFFAOYSA-N
XLogP0.90
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylsulfamoylamino)pentanenitrile
CID 115638449
N-(tert-butylsulfamoyl)pent-4-yn-1-amine
CID 106223279
1-cyano-4-(sulfamoylamino)butane
CID 112689559
N,N'-bis(9-cyanononyl)methanedisulfonamide
CID 161288415
N-(tert-butylsulfamoyl)pent-3-yn-1-amine
CID 114812605
1-cyano-4-(dimethylsulfamoylamino)butane
CID 63297084
3-(tert-butylsulfamoylamino)-2-methylpropanenitrile
CID 104538456
N'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine
CID 114810641
1-N,1-N',1-N",2-N-tetrakis(10-cyanodecyl)propane-1,1,1,2-tetrasulfonamide
CID 157401334
N-(10-cyanodecyl)decane-1-sulfonamide
CID 152541431
N-(tert-butylsulfamoyl)-2-methylpropan-1-amine
CID 104538392
1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide
CID 157421795

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoylamino)pentanenitrile?
The IUPAC name of 5-(tert-butylsulfamoylamino)pentanenitrile (CID 114807938) is 5-(tert-butylsulfamoylamino)pentanenitrile.
What is the SMILES notation for 5-(tert-butylsulfamoylamino)pentanenitrile?
The canonical SMILES for 5-(tert-butylsulfamoylamino)pentanenitrile is CC(C)(C)NS(=O)(=O)NCCCCC#N.
What is the InChIKey of 5-(tert-butylsulfamoylamino)pentanenitrile?
The InChIKey is JYIDTONGONYILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-9(2,3)12-15(13,14)11-8-6-4-5-7-10/h11-12H,4-6,8H2,1-3H3.
What are the key properties of 5-(tert-butylsulfamoylamino)pentanenitrile?
5-(tert-butylsulfamoylamino)pentanenitrile has a molecular weight of 233.34 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoylamino)pentanenitrile is sourced from PubChem (CID 114807938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).