4-cyano-4-(dimethylsulfamoylamino)-1-methylpiperidine

C9H18N4O2S — CID 55139325

IUPAC4-cyano-4-(dimethylsulfamoylamino)-1-methylpiperidine
SMILESCN1CCC(C#N)(NS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H18N4O2S/c1-12(2)16(14,15)11-9(8-10)4-6-13(3)7-5-9/h11H,4-7H2,1-3H3
InChIKeyFAPPEIGGWWVMEL-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.63
Rot. Bonds3

About 4-cyano-4-(dimethylsulfamoylamino)-1-methylpiperidine

4-cyano-4-(dimethylsulfamoylamino)-1-methylpiperidine (PubChem CID 55139325) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-cyano-4-(dimethylsulfamoylamino)-1-methylpiperidine.

Molecular Properties

Compound Name4-cyano-4-(dimethylsulfamoylamino)-1-methylpiperidine
PubChem CID55139325
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name4-cyano-4-(dimethylsulfamoylamino)-1-methylpiperidine
SMILESCN1CCC(C#N)(NS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H18N4O2S/c1-12(2)16(14,15)11-9(8-10)4-6-13(3)7-5-9/h11H,4-7H2,1-3H3
InChIKeyFAPPEIGGWWVMEL-UHFFFAOYSA-N
XLogP-0.63
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-4-(dimethylsulfamoylamino)-1-methylpiperidine 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 4-cyano-4-(dimethylsulfamoylamino)-1-methylpiperidine?
The IUPAC name of 4-cyano-4-(dimethylsulfamoylamino)-1-methylpiperidine (CID 55139325) is 4-cyano-4-(dimethylsulfamoylamino)-1-methylpiperidine.
What is the SMILES notation for 4-cyano-4-(dimethylsulfamoylamino)-1-methylpiperidine?
The canonical SMILES for 4-cyano-4-(dimethylsulfamoylamino)-1-methylpiperidine is CN1CCC(C#N)(NS(=O)(=O)N(C)C)CC1.
What is the InChIKey of 4-cyano-4-(dimethylsulfamoylamino)-1-methylpiperidine?
The InChIKey is FAPPEIGGWWVMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-12(2)16(14,15)11-9(8-10)4-6-13(3)7-5-9/h11H,4-7H2,1-3H3.
What are the key properties of 4-cyano-4-(dimethylsulfamoylamino)-1-methylpiperidine?
4-cyano-4-(dimethylsulfamoylamino)-1-methylpiperidine has a molecular weight of 246.34 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-(dimethylsulfamoylamino)-1-methylpiperidine is sourced from PubChem (CID 55139325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).