[[2-cyanopropyl(methyl)sulfamoyl]amino]cyclopropane

C8H15N3O2S — CID 114383092

IUPAC[[2-cyanopropyl(methyl)sulfamoyl]amino]cyclopropane
SMILESCC(C#N)CN(C)S(=O)(=O)NC1CC1
InChIInChI=1S/C8H15N3O2S/c1-7(5-9)6-11(2)14(12,13)10-8-3-4-8/h7-8,10H,3-4,6H2,1-2H3
InChIKeyPXKDJRYBZDEFJL-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.07
Rot. Bonds5

About [[2-cyanopropyl(methyl)sulfamoyl]amino]cyclopropane

[[2-cyanopropyl(methyl)sulfamoyl]amino]cyclopropane (PubChem CID 114383092) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is [[2-cyanopropyl(methyl)sulfamoyl]amino]cyclopropane.

Molecular Properties

Compound Name[[2-cyanopropyl(methyl)sulfamoyl]amino]cyclopropane
PubChem CID114383092
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name[[2-cyanopropyl(methyl)sulfamoyl]amino]cyclopropane
SMILESCC(C#N)CN(C)S(=O)(=O)NC1CC1
InChIInChI=1S/C8H15N3O2S/c1-7(5-9)6-11(2)14(12,13)10-8-3-4-8/h7-8,10H,3-4,6H2,1-2H3
InChIKeyPXKDJRYBZDEFJL-UHFFFAOYSA-N
XLogP0.07
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [[2-cyanopropyl(methyl)sulfamoyl]amino]cyclopropane?
The IUPAC name of [[2-cyanopropyl(methyl)sulfamoyl]amino]cyclopropane (CID 114383092) is [[2-cyanopropyl(methyl)sulfamoyl]amino]cyclopropane.
What is the SMILES notation for [[2-cyanopropyl(methyl)sulfamoyl]amino]cyclopropane?
The canonical SMILES for [[2-cyanopropyl(methyl)sulfamoyl]amino]cyclopropane is CC(C#N)CN(C)S(=O)(=O)NC1CC1.
What is the InChIKey of [[2-cyanopropyl(methyl)sulfamoyl]amino]cyclopropane?
The InChIKey is PXKDJRYBZDEFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-7(5-9)6-11(2)14(12,13)10-8-3-4-8/h7-8,10H,3-4,6H2,1-2H3.
What are the key properties of [[2-cyanopropyl(methyl)sulfamoyl]amino]cyclopropane?
[[2-cyanopropyl(methyl)sulfamoyl]amino]cyclopropane has a molecular weight of 217.29 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-cyanopropyl(methyl)sulfamoyl]amino]cyclopropane is sourced from PubChem (CID 114383092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).