2-(ethylsulfamoylamino)butanenitrile

C6H13N3O2S — CID 114807676

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

About 2-(ethylsulfamoylamino)butanenitrile

2-(ethylsulfamoylamino)butanenitrile (PubChem CID 114807676) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-(ethylsulfamoylamino)butanenitrile.

Molecular Properties

Compound Name2-(ethylsulfamoylamino)butanenitrile
PubChem CID114807676
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Name2-(ethylsulfamoylamino)butanenitrile
SMILESCCNS(=O)(=O)NC(C#N)CC
InChIInChI=1S/C6H13N3O2S/c1-3-6(5-7)9-12(10,11)8-4-2/h6,8-9H,3-4H2,1-2H3
InChIKeyPOKIHLZQGAPPQK-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

2-(propan-2-ylsulfamoylamino)butanenitrile
CID 114807678
4-(1-cyanopropylsulfamoyl)benzenesulfonyl fluoride
CID 126819584
N-(1-cyanopropyl)oxane-4-sulfonamide
CID 62048262
5-(ethylsulfamoylamino)pentanenitrile
CID 115638449
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
N-(1-cyanobutyl)ethanesulfonamide
CID 61125057
N-(1-cyanopropyl)formamide
CID 19979685
2-ethyl-N-(ethylsulfamoyl)butan-1-amine
CID 115638452
2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile
CID 79849960
5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide
CID 106266730
3,4-dichloro-N-(1-cyanopropyl)benzenesulfonamide
CID 61123449
2-(ethylsulfamoylamino)propanethioamide
CID 114808115

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfamoylamino)butanenitrile?
The IUPAC name of 2-(ethylsulfamoylamino)butanenitrile (CID 114807676) is 2-(ethylsulfamoylamino)butanenitrile.
What is the SMILES notation for 2-(ethylsulfamoylamino)butanenitrile?
The canonical SMILES for 2-(ethylsulfamoylamino)butanenitrile is CCNS(=O)(=O)NC(C#N)CC.
What is the InChIKey of 2-(ethylsulfamoylamino)butanenitrile?
The InChIKey is POKIHLZQGAPPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S/c1-3-6(5-7)9-12(10,11)8-4-2/h6,8-9H,3-4H2,1-2H3.
What are the key properties of 2-(ethylsulfamoylamino)butanenitrile?
2-(ethylsulfamoylamino)butanenitrile 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-(ethylsulfamoylamino)butanenitrile is sourced from PubChem (CID 114807676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).