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

C15H28N2O2S — CID 43780168

IUPAC1-(3-methylbut-2-enyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC2(C)CCS(=O)(=O)C2)CC1
InChIInChI=1S/C15H28N2O2S/c1-13(2)4-8-17-9-5-14(6-10-17)16-15(3)7-11-20(18,19)12-15/h4,14,16H,5-12H2,1-3H3
InChIKeyRTHXGMSCELCAMI-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.58
Rot. Bonds4

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

1-(3-methylbut-2-enyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine (PubChem CID 43780168) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine
PubChem CID43780168
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name1-(3-methylbut-2-enyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC2(C)CCS(=O)(=O)C2)CC1
InChIInChI=1S/C15H28N2O2S/c1-13(2)4-8-17-9-5-14(6-10-17)16-15(3)7-11-20(18,19)12-15/h4,14,16H,5-12H2,1-3H3
InChIKeyRTHXGMSCELCAMI-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine (CID 43780168) is 1-(3-methylbut-2-enyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine is CC(C)=CCN1CCC(NC2(C)CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine?
The InChIKey is RTHXGMSCELCAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-13(2)4-8-17-9-5-14(6-10-17)16-15(3)7-11-20(18,19)12-15/h4,14,16H,5-12H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)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 1-(3-methylbut-2-enyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 43780168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).