[[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane

C10H19N3O2S — CID 35326787

IUPAC[[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane
SMILESCN(CCC#N)S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C10H19N3O2S/c1-13(9-5-8-11)16(14,15)12-10-6-3-2-4-7-10/h10,12H,2-7,9H2,1H3
InChIKeyVPCXGEIWKLBLKY-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.00
Rot. Bonds5

About [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane

[[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane (PubChem CID 35326787) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane.

Molecular Properties

Compound Name[[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane
PubChem CID35326787
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name[[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane
SMILESCN(CCC#N)S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C10H19N3O2S/c1-13(9-5-8-11)16(14,15)12-10-6-3-2-4-7-10/h10,12H,2-7,9H2,1H3
InChIKeyVPCXGEIWKLBLKY-UHFFFAOYSA-N
XLogP1.00
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane?
The IUPAC name of [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane (CID 35326787) is [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane.
What is the SMILES notation for [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane?
The canonical SMILES for [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane is CN(CCC#N)S(=O)(=O)NC1CCCCC1.
What is the InChIKey of [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane?
The InChIKey is VPCXGEIWKLBLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-13(9-5-8-11)16(14,15)12-10-6-3-2-4-7-10/h10,12H,2-7,9H2,1H3.
What are the key properties of [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane?
[[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane has a molecular weight of 245.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane is sourced from PubChem (CID 35326787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).