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

C11H21N3O2S — CID 35431102

IUPAC[[2-cyanoethyl(methyl)sulfamoyl]amino]cycloheptane
SMILESCN(CCC#N)S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C11H21N3O2S/c1-14(10-6-9-12)17(15,16)13-11-7-4-2-3-5-8-11/h11,13H,2-8,10H2,1H3
InChIKeyLVFYMJVLYPQRCA-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.39
Rot. Bonds5

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

[[2-cyanoethyl(methyl)sulfamoyl]amino]cycloheptane (PubChem CID 35431102) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is [[2-cyanoethyl(methyl)sulfamoyl]amino]cycloheptane.

Molecular Properties

Compound Name[[2-cyanoethyl(methyl)sulfamoyl]amino]cycloheptane
PubChem CID35431102
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name[[2-cyanoethyl(methyl)sulfamoyl]amino]cycloheptane
SMILESCN(CCC#N)S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C11H21N3O2S/c1-14(10-6-9-12)17(15,16)13-11-7-4-2-3-5-8-11/h11,13H,2-8,10H2,1H3
InChIKeyLVFYMJVLYPQRCA-UHFFFAOYSA-N
XLogP1.39
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.39
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]cycloheptane?
The IUPAC name of [[2-cyanoethyl(methyl)sulfamoyl]amino]cycloheptane (CID 35431102) is [[2-cyanoethyl(methyl)sulfamoyl]amino]cycloheptane.
What is the SMILES notation for [[2-cyanoethyl(methyl)sulfamoyl]amino]cycloheptane?
The canonical SMILES for [[2-cyanoethyl(methyl)sulfamoyl]amino]cycloheptane is CN(CCC#N)S(=O)(=O)NC1CCCCCC1.
What is the InChIKey of [[2-cyanoethyl(methyl)sulfamoyl]amino]cycloheptane?
The InChIKey is LVFYMJVLYPQRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-14(10-6-9-12)17(15,16)13-11-7-4-2-3-5-8-11/h11,13H,2-8,10H2,1H3.
What are the key properties of [[2-cyanoethyl(methyl)sulfamoyl]amino]cycloheptane?
[[2-cyanoethyl(methyl)sulfamoyl]amino]cycloheptane has a molecular weight of 259.37 g/mol, XLogP of 1.39, 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]cycloheptane is sourced from PubChem (CID 35431102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).