3-[(diethylsulfamoylamino)methyl]-1-(3-methylbut-2-enyl)piperidine

C15H31N3O2S — CID 56759317

IUPAC3-[(diethylsulfamoylamino)methyl]-1-(3-methylbut-2-enyl)piperidine
SMILESCCN(CC)S(=O)(=O)NCC1CCCN(CC=C(C)C)C1
InChIInChI=1S/C15H31N3O2S/c1-5-18(6-2)21(19,20)16-12-15-8-7-10-17(13-15)11-9-14(3)4/h9,15-16H,5-8,10-13H2,1-4H3
InChIKeyZEUQPGNCFMLFRC-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.84
Rot. Bonds8

About 3-[(diethylsulfamoylamino)methyl]-1-(3-methylbut-2-enyl)piperidine

3-[(diethylsulfamoylamino)methyl]-1-(3-methylbut-2-enyl)piperidine (PubChem CID 56759317) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is 3-[(diethylsulfamoylamino)methyl]-1-(3-methylbut-2-enyl)piperidine.

Molecular Properties

Compound Name3-[(diethylsulfamoylamino)methyl]-1-(3-methylbut-2-enyl)piperidine
PubChem CID56759317
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC Name3-[(diethylsulfamoylamino)methyl]-1-(3-methylbut-2-enyl)piperidine
SMILESCCN(CC)S(=O)(=O)NCC1CCCN(CC=C(C)C)C1
InChIInChI=1S/C15H31N3O2S/c1-5-18(6-2)21(19,20)16-12-15-8-7-10-17(13-15)11-9-14(3)4/h9,15-16H,5-8,10-13H2,1-4H3
InChIKeyZEUQPGNCFMLFRC-UHFFFAOYSA-N
XLogP1.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(diethylsulfamoylamino)methyl]-1-(3-methylbut-2-enyl)piperidine?
The IUPAC name of 3-[(diethylsulfamoylamino)methyl]-1-(3-methylbut-2-enyl)piperidine (CID 56759317) is 3-[(diethylsulfamoylamino)methyl]-1-(3-methylbut-2-enyl)piperidine.
What is the SMILES notation for 3-[(diethylsulfamoylamino)methyl]-1-(3-methylbut-2-enyl)piperidine?
The canonical SMILES for 3-[(diethylsulfamoylamino)methyl]-1-(3-methylbut-2-enyl)piperidine is CCN(CC)S(=O)(=O)NCC1CCCN(CC=C(C)C)C1.
What is the InChIKey of 3-[(diethylsulfamoylamino)methyl]-1-(3-methylbut-2-enyl)piperidine?
The InChIKey is ZEUQPGNCFMLFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-5-18(6-2)21(19,20)16-12-15-8-7-10-17(13-15)11-9-14(3)4/h9,15-16H,5-8,10-13H2,1-4H3.
What are the key properties of 3-[(diethylsulfamoylamino)methyl]-1-(3-methylbut-2-enyl)piperidine?
3-[(diethylsulfamoylamino)methyl]-1-(3-methylbut-2-enyl)piperidine has a molecular weight of 317.50 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(diethylsulfamoylamino)methyl]-1-(3-methylbut-2-enyl)piperidine is sourced from PubChem (CID 56759317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).