4-cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine

C11H22N4O2S — CID 54947100

IUPAC4-cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine
SMILESCC(C)N(C)S(=O)(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C11H22N4O2S/c1-10(2)15(4)18(16,17)13-11(9-12)5-7-14(3)8-6-11/h10,13H,5-8H2,1-4H3
InChIKeyVBXXYZCNILAAAA-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.15
Rot. Bonds4

About 4-cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine

4-cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine (PubChem CID 54947100) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine.

Molecular Properties

Compound Name4-cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine
PubChem CID54947100
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name4-cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine
SMILESCC(C)N(C)S(=O)(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C11H22N4O2S/c1-10(2)15(4)18(16,17)13-11(9-12)5-7-14(3)8-6-11/h10,13H,5-8H2,1-4H3
InChIKeyVBXXYZCNILAAAA-UHFFFAOYSA-N
XLogP0.15
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine?
The IUPAC name of 4-cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine (CID 54947100) is 4-cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine.
What is the SMILES notation for 4-cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine?
The canonical SMILES for 4-cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine is CC(C)N(C)S(=O)(=O)NC1(C#N)CCN(C)CC1.
What is the InChIKey of 4-cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine?
The InChIKey is VBXXYZCNILAAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-10(2)15(4)18(16,17)13-11(9-12)5-7-14(3)8-6-11/h10,13H,5-8H2,1-4H3.
What are the key properties of 4-cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine?
4-cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine has a molecular weight of 274.39 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine is sourced from PubChem (CID 54947100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).