1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane

C12H23N3O2S — CID 54947884

IUPAC1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane
SMILESCC(C)N(C)S(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C12H23N3O2S/c1-11(2)15(3)18(16,17)14-12(10-13)8-6-4-5-7-9-12/h11,14H,4-9H2,1-3H3
InChIKeyQEBRZNSOARYFLY-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.78
Rot. Bonds4

About 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane

1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane (PubChem CID 54947884) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane.

Molecular Properties

Compound Name1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane
PubChem CID54947884
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane
SMILESCC(C)N(C)S(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C12H23N3O2S/c1-11(2)15(3)18(16,17)14-12(10-13)8-6-4-5-7-9-12/h11,14H,4-9H2,1-3H3
InChIKeyQEBRZNSOARYFLY-UHFFFAOYSA-N
XLogP1.78
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane?
The IUPAC name of 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane (CID 54947884) is 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane.
What is the SMILES notation for 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane?
The canonical SMILES for 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane is CC(C)N(C)S(=O)(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane?
The InChIKey is QEBRZNSOARYFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-11(2)15(3)18(16,17)14-12(10-13)8-6-4-5-7-9-12/h11,14H,4-9H2,1-3H3.
What are the key properties of 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane?
1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane has a molecular weight of 273.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane is sourced from PubChem (CID 54947884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).