[[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]cyclopropane

C8H15N3O2S — CID 104538427

IUPAC[[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]cyclopropane
SMILESCC(CC#N)N(C)S(=O)(=O)NC1CC1
InChIInChI=1S/C8H15N3O2S/c1-7(5-6-9)11(2)14(12,13)10-8-3-4-8/h7-8,10H,3-5H2,1-2H3
InChIKeyXYOWMEBFBHDYMN-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.22
Rot. Bonds5

About [[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]cyclopropane

[[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]cyclopropane (PubChem CID 104538427) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is [[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]cyclopropane.

Molecular Properties

Compound Name[[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]cyclopropane
PubChem CID104538427
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name[[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]cyclopropane
SMILESCC(CC#N)N(C)S(=O)(=O)NC1CC1
InChIInChI=1S/C8H15N3O2S/c1-7(5-6-9)11(2)14(12,13)10-8-3-4-8/h7-8,10H,3-5H2,1-2H3
InChIKeyXYOWMEBFBHDYMN-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]cyclopropane?
The IUPAC name of [[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]cyclopropane (CID 104538427) is [[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]cyclopropane.
What is the SMILES notation for [[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]cyclopropane?
The canonical SMILES for [[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]cyclopropane is CC(CC#N)N(C)S(=O)(=O)NC1CC1.
What is the InChIKey of [[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]cyclopropane?
The InChIKey is XYOWMEBFBHDYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-7(5-6-9)11(2)14(12,13)10-8-3-4-8/h7-8,10H,3-5H2,1-2H3.
What are the key properties of [[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]cyclopropane?
[[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]cyclopropane has a molecular weight of 217.29 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]cyclopropane is sourced from PubChem (CID 104538427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).