N-(1,1-dioxothian-4-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine

C15H28N2O2S — CID 43778653

IUPACN-(1,1-dioxothian-4-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C15H28N2O2S/c1-13(2)3-8-17-9-4-14(5-10-17)16-15-6-11-20(18,19)12-7-15/h3,14-16H,4-12H2,1-2H3
InChIKeyYLWBFNKFRSFMJY-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.58
Rot. Bonds4

About N-(1,1-dioxothian-4-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine

N-(1,1-dioxothian-4-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 43778653) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID43778653
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC NameN-(1,1-dioxothian-4-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C15H28N2O2S/c1-13(2)3-8-17-9-4-14(5-10-17)16-15-6-11-20(18,19)12-7-15/h3,14-16H,4-12H2,1-2H3
InChIKeyYLWBFNKFRSFMJY-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1,1-dioxothian-4-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine 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 N-(1,1-dioxothian-4-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 43778653) is N-(1,1-dioxothian-4-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine is CC(C)=CCN1CCC(NC2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is YLWBFNKFRSFMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-13(2)3-8-17-9-4-14(5-10-17)16-15-6-11-20(18,19)12-7-15/h3,14-16H,4-12H2,1-2H3.
What are the key properties of N-(1,1-dioxothian-4-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-(1,1-dioxothian-4-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 300.47 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 43778653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).