2-(propylsulfamoylamino)propanenitrile

C6H13N3O2S — CID 114807667

IUPAC2-(propylsulfamoylamino)propanenitrile
SMILESCCCNS(=O)(=O)NC(C)C#N
InChIInChI=1S/C6H13N3O2S/c1-3-4-8-12(10,11)9-6(2)5-7/h6,8-9H,3-4H2,1-2H3
InChIKeyWGZZWCPSFLKNAY-UHFFFAOYSA-N
MW191.26 g/mol
LogP-0.27
Rot. Bonds5

About 2-(propylsulfamoylamino)propanenitrile

2-(propylsulfamoylamino)propanenitrile (PubChem CID 114807667) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-(propylsulfamoylamino)propanenitrile.

Molecular Properties

Compound Name2-(propylsulfamoylamino)propanenitrile
PubChem CID114807667
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Name2-(propylsulfamoylamino)propanenitrile
SMILESCCCNS(=O)(=O)NC(C)C#N
InChIInChI=1S/C6H13N3O2S/c1-3-4-8-12(10,11)9-6(2)5-7/h6,8-9H,3-4H2,1-2H3
InChIKeyWGZZWCPSFLKNAY-UHFFFAOYSA-N
XLogP-0.27
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Methylethyl)sulfamide
CID 13626285
N,N'-diisopropylsulfamide
CID 2818101
2-(2,2,2-Trifluoroethylsulfamoylamino)propanenitrile
CID 114807666
2-(2,2,2-Trifluoroethylsulfamoylamino)butanenitrile
CID 114807673
3-(2,2,2-Trifluoroethylsulfamoylamino)butanenitrile
CID 114807799
N-methyl-N'-isopropylsulfamide
CID 13269121
2-(Sulfamoylamino)butane
CID 22273082
2-Aminobutanenitrile;sulfuric acid
CID 56595462
N-(ethylsulfamoyl)propan-2-amine
CID 84282028
N-(propan-2-ylsulfamoyl)butan-2-amine
CID 84282110
[(Pentan-3-yl)sulfamoyl]amine
CID 86189774
Ammonium isopropylsulfamate
CID 86615404

Frequently Asked Questions

What is the IUPAC name of 2-(propylsulfamoylamino)propanenitrile?
The IUPAC name of 2-(propylsulfamoylamino)propanenitrile (CID 114807667) is 2-(propylsulfamoylamino)propanenitrile.
What is the SMILES notation for 2-(propylsulfamoylamino)propanenitrile?
The canonical SMILES for 2-(propylsulfamoylamino)propanenitrile is CCCNS(=O)(=O)NC(C)C#N.
What is the InChIKey of 2-(propylsulfamoylamino)propanenitrile?
The InChIKey is WGZZWCPSFLKNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S/c1-3-4-8-12(10,11)9-6(2)5-7/h6,8-9H,3-4H2,1-2H3.
What are the key properties of 2-(propylsulfamoylamino)propanenitrile?
2-(propylsulfamoylamino)propanenitrile has a molecular weight of 191.26 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylsulfamoylamino)propanenitrile is sourced from PubChem (CID 114807667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).