3-[2-(dimethylsulfamoylamino)ethyl]-1-[(E)-2-methylbut-2-enyl]piperidine

C14H29N3O2S — CID 56759585

IUPAC3-[2-(dimethylsulfamoylamino)ethyl]-1-[(E)-2-methylbut-2-enyl]piperidine
SMILESC/C=C(\C)CN1CCCC(CCNS(=O)(=O)N(C)C)C1
InChIInChI=1S/C14H29N3O2S/c1-5-13(2)11-17-10-6-7-14(12-17)8-9-15-20(18,19)16(3)4/h5,14-15H,6-12H2,1-4H3/b13-5+
InChIKeyBEKFITBOEPVHAA-WLRTZDKTSA-N
MW303.47 g/mol
LogP1.45
Rot. Bonds7

About 3-[2-(dimethylsulfamoylamino)ethyl]-1-[(E)-2-methylbut-2-enyl]piperidine

3-[2-(dimethylsulfamoylamino)ethyl]-1-[(E)-2-methylbut-2-enyl]piperidine (PubChem CID 56759585) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 3-[2-(dimethylsulfamoylamino)ethyl]-1-[(E)-2-methylbut-2-enyl]piperidine.

Molecular Properties

Compound Name3-[2-(dimethylsulfamoylamino)ethyl]-1-[(E)-2-methylbut-2-enyl]piperidine
PubChem CID56759585
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name3-[2-(dimethylsulfamoylamino)ethyl]-1-[(E)-2-methylbut-2-enyl]piperidine
SMILESC/C=C(\C)CN1CCCC(CCNS(=O)(=O)N(C)C)C1
InChIInChI=1S/C14H29N3O2S/c1-5-13(2)11-17-10-6-7-14(12-17)8-9-15-20(18,19)16(3)4/h5,14-15H,6-12H2,1-4H3/b13-5+
InChIKeyBEKFITBOEPVHAA-WLRTZDKTSA-N
XLogP1.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[2-(dimethylsulfamoylamino)ethyl]-1-[(E)-2-methylbut-2-enyl]piperidine 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 3-[2-(dimethylsulfamoylamino)ethyl]-1-[(E)-2-methylbut-2-enyl]piperidine?
The IUPAC name of 3-[2-(dimethylsulfamoylamino)ethyl]-1-[(E)-2-methylbut-2-enyl]piperidine (CID 56759585) is 3-[2-(dimethylsulfamoylamino)ethyl]-1-[(E)-2-methylbut-2-enyl]piperidine.
What is the SMILES notation for 3-[2-(dimethylsulfamoylamino)ethyl]-1-[(E)-2-methylbut-2-enyl]piperidine?
The canonical SMILES for 3-[2-(dimethylsulfamoylamino)ethyl]-1-[(E)-2-methylbut-2-enyl]piperidine is C/C=C(\C)CN1CCCC(CCNS(=O)(=O)N(C)C)C1.
What is the InChIKey of 3-[2-(dimethylsulfamoylamino)ethyl]-1-[(E)-2-methylbut-2-enyl]piperidine?
The InChIKey is BEKFITBOEPVHAA-WLRTZDKTSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-5-13(2)11-17-10-6-7-14(12-17)8-9-15-20(18,19)16(3)4/h5,14-15H,6-12H2,1-4H3/b13-5+.
What are the key properties of 3-[2-(dimethylsulfamoylamino)ethyl]-1-[(E)-2-methylbut-2-enyl]piperidine?
3-[2-(dimethylsulfamoylamino)ethyl]-1-[(E)-2-methylbut-2-enyl]piperidine has a molecular weight of 303.47 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylsulfamoylamino)ethyl]-1-[(E)-2-methylbut-2-enyl]piperidine is sourced from PubChem (CID 56759585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).