3-[[ethyl(2-methylprop-2-enyl)sulfamoyl]-methylamino]propanenitrile

C10H19N3O2S — CID 134043668

IUPAC3-[[ethyl(2-methylprop-2-enyl)sulfamoyl]-methylamino]propanenitrile
SMILESC=C(C)CN(CC)S(=O)(=O)N(C)CCC#N
InChIInChI=1S/C10H19N3O2S/c1-5-13(9-10(2)3)16(14,15)12(4)8-6-7-11/h2,5-6,8-9H2,1,3-4H3
InChIKeyRVLVITOBOYSRJP-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.97
Rot. Bonds7

About 3-[[ethyl(2-methylprop-2-enyl)sulfamoyl]-methylamino]propanenitrile

3-[[ethyl(2-methylprop-2-enyl)sulfamoyl]-methylamino]propanenitrile (PubChem CID 134043668) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-[[ethyl(2-methylprop-2-enyl)sulfamoyl]-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[[ethyl(2-methylprop-2-enyl)sulfamoyl]-methylamino]propanenitrile
PubChem CID134043668
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name3-[[ethyl(2-methylprop-2-enyl)sulfamoyl]-methylamino]propanenitrile
SMILESC=C(C)CN(CC)S(=O)(=O)N(C)CCC#N
InChIInChI=1S/C10H19N3O2S/c1-5-13(9-10(2)3)16(14,15)12(4)8-6-7-11/h2,5-6,8-9H2,1,3-4H3
InChIKeyRVLVITOBOYSRJP-UHFFFAOYSA-N
XLogP0.97
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2-methylprop-2-enyl)sulfamoyl]-methylamino]propanenitrile?
The IUPAC name of 3-[[ethyl(2-methylprop-2-enyl)sulfamoyl]-methylamino]propanenitrile (CID 134043668) is 3-[[ethyl(2-methylprop-2-enyl)sulfamoyl]-methylamino]propanenitrile.
What is the SMILES notation for 3-[[ethyl(2-methylprop-2-enyl)sulfamoyl]-methylamino]propanenitrile?
The canonical SMILES for 3-[[ethyl(2-methylprop-2-enyl)sulfamoyl]-methylamino]propanenitrile is C=C(C)CN(CC)S(=O)(=O)N(C)CCC#N.
What is the InChIKey of 3-[[ethyl(2-methylprop-2-enyl)sulfamoyl]-methylamino]propanenitrile?
The InChIKey is RVLVITOBOYSRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-5-13(9-10(2)3)16(14,15)12(4)8-6-7-11/h2,5-6,8-9H2,1,3-4H3.
What are the key properties of 3-[[ethyl(2-methylprop-2-enyl)sulfamoyl]-methylamino]propanenitrile?
3-[[ethyl(2-methylprop-2-enyl)sulfamoyl]-methylamino]propanenitrile has a molecular weight of 245.35 g/mol, XLogP of 0.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2-methylprop-2-enyl)sulfamoyl]-methylamino]propanenitrile is sourced from PubChem (CID 134043668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).