5-(ethylsulfamoylamino)pentanenitrile

C7H15N3O2S — CID 115638449

IUPAC5-(ethylsulfamoylamino)pentanenitrile
SMILESCCNS(=O)(=O)NCCCCC#N
InChIInChI=1S/C7H15N3O2S/c1-2-9-13(11,12)10-7-5-3-4-6-8/h9-10H,2-5,7H2,1H3
InChIKeyYWRITUWEUZKHFU-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.12
Rot. Bonds7

About 5-(ethylsulfamoylamino)pentanenitrile

5-(ethylsulfamoylamino)pentanenitrile (PubChem CID 115638449) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 5-(ethylsulfamoylamino)pentanenitrile.

Molecular Properties

Compound Name5-(ethylsulfamoylamino)pentanenitrile
PubChem CID115638449
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name5-(ethylsulfamoylamino)pentanenitrile
SMILESCCNS(=O)(=O)NCCCCC#N
InChIInChI=1S/C7H15N3O2S/c1-2-9-13(11,12)10-7-5-3-4-6-8/h9-10H,2-5,7H2,1H3
InChIKeyYWRITUWEUZKHFU-UHFFFAOYSA-N
XLogP0.12
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.12
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-(tert-butylsulfamoylamino)pentanenitrile
CID 114807938
1-cyano-4-(sulfamoylamino)butane
CID 112689559
N,N'-bis(9-cyanononyl)methanedisulfonamide
CID 161288415
1-cyano-4-(dimethylsulfamoylamino)butane
CID 63297084
N-(10-cyanodecyl)decane-1-sulfonamide
CID 152541431
1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide
CID 157421795
1-N,1-N',1-N",2-N-tetrakis(10-cyanodecyl)propane-1,1,1,2-tetrasulfonamide
CID 157401334
4-azido-N-(ethylsulfamoyl)butan-1-amine
CID 106387131
5-(ethylsulfamoylamino)-2-methylpentanoic acid
CID 114807097
N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine
CID 110627926
2-(ethylsulfamoylamino)butanenitrile
CID 114807676
1-N,2-N,3-N-tris(6-cyanohexyl)benzene-1,2,3-trisulfonamide
CID 161168550

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoylamino)pentanenitrile?
The IUPAC name of 5-(ethylsulfamoylamino)pentanenitrile (CID 115638449) is 5-(ethylsulfamoylamino)pentanenitrile.
What is the SMILES notation for 5-(ethylsulfamoylamino)pentanenitrile?
The canonical SMILES for 5-(ethylsulfamoylamino)pentanenitrile is CCNS(=O)(=O)NCCCCC#N.
What is the InChIKey of 5-(ethylsulfamoylamino)pentanenitrile?
The InChIKey is YWRITUWEUZKHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-2-9-13(11,12)10-7-5-3-4-6-8/h9-10H,2-5,7H2,1H3.
What are the key properties of 5-(ethylsulfamoylamino)pentanenitrile?
5-(ethylsulfamoylamino)pentanenitrile has a molecular weight of 205.28 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoylamino)pentanenitrile is sourced from PubChem (CID 115638449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).