3-[[butyl(methyl)sulfamoyl]-ethylamino]propanenitrile

C10H21N3O2S — CID 56789901

IUPAC3-[[butyl(methyl)sulfamoyl]-ethylamino]propanenitrile
SMILESCCCCN(C)S(=O)(=O)N(CC)CCC#N
InChIInChI=1S/C10H21N3O2S/c1-4-6-9-12(3)16(14,15)13(5-2)10-7-8-11/h4-7,9-10H2,1-3H3
InChIKeyCGBVMNGONXSNCK-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.20
Rot. Bonds8

About 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanenitrile

3-[[butyl(methyl)sulfamoyl]-ethylamino]propanenitrile (PubChem CID 56789901) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanenitrile.

Molecular Properties

Compound Name3-[[butyl(methyl)sulfamoyl]-ethylamino]propanenitrile
PubChem CID56789901
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name3-[[butyl(methyl)sulfamoyl]-ethylamino]propanenitrile
SMILESCCCCN(C)S(=O)(=O)N(CC)CCC#N
InChIInChI=1S/C10H21N3O2S/c1-4-6-9-12(3)16(14,15)13(5-2)10-7-8-11/h4-7,9-10H2,1-3H3
InChIKeyCGBVMNGONXSNCK-UHFFFAOYSA-N
XLogP1.20
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanenitrile?
The IUPAC name of 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanenitrile (CID 56789901) is 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanenitrile.
What is the SMILES notation for 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanenitrile?
The canonical SMILES for 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanenitrile is CCCCN(C)S(=O)(=O)N(CC)CCC#N.
What is the InChIKey of 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanenitrile?
The InChIKey is CGBVMNGONXSNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-4-6-9-12(3)16(14,15)13(5-2)10-7-8-11/h4-7,9-10H2,1-3H3.
What are the key properties of 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanenitrile?
3-[[butyl(methyl)sulfamoyl]-ethylamino]propanenitrile has a molecular weight of 247.36 g/mol, XLogP of 1.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(methyl)sulfamoyl]-ethylamino]propanenitrile is sourced from PubChem (CID 56789901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).