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

C8H15N3O2S — CID 39992422

IUPAC[[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopropane
SMILESCN(CCC#N)S(=O)(=O)NCC1CC1
InChIInChI=1S/C8H15N3O2S/c1-11(6-2-5-9)14(12,13)10-7-8-3-4-8/h8,10H,2-4,6-7H2,1H3
InChIKeyMDSGAORFKXOOQJ-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.08
Rot. Bonds6

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

[[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopropane (PubChem CID 39992422) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is [[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopropane.

Molecular Properties

Compound Name[[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopropane
PubChem CID39992422
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name[[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopropane
SMILESCN(CCC#N)S(=O)(=O)NCC1CC1
InChIInChI=1S/C8H15N3O2S/c1-11(6-2-5-9)14(12,13)10-7-8-3-4-8/h8,10H,2-4,6-7H2,1H3
InChIKeyMDSGAORFKXOOQJ-UHFFFAOYSA-N
XLogP0.08
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.08
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]methylcyclopropane?
The IUPAC name of [[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopropane (CID 39992422) is [[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopropane.
What is the SMILES notation for [[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopropane?
The canonical SMILES for [[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopropane is CN(CCC#N)S(=O)(=O)NCC1CC1.
What is the InChIKey of [[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopropane?
The InChIKey is MDSGAORFKXOOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-11(6-2-5-9)14(12,13)10-7-8-3-4-8/h8,10H,2-4,6-7H2,1H3.
What are the key properties of [[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopropane?
[[2-cyanoethyl(methyl)sulfamoyl]amino]methylcyclopropane has a molecular weight of 217.29 g/mol, XLogP of 0.08, 6 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]methylcyclopropane is sourced from PubChem (CID 39992422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).