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

C14H26N2O2S — CID 43757096

IUPACN-(1,1-dioxothiolan-3-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H26N2O2S/c1-12(2)3-7-16-8-4-13(5-9-16)15-14-6-10-19(17,18)11-14/h3,13-15H,4-11H2,1-2H3
InChIKeyBSMPUQXHCKNDOH-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.19
Rot. Bonds4

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

N-(1,1-dioxothiolan-3-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 43757096) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID43757096
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H26N2O2S/c1-12(2)3-7-16-8-4-13(5-9-16)15-14-6-10-19(17,18)11-14/h3,13-15H,4-11H2,1-2H3
InChIKeyBSMPUQXHCKNDOH-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.19
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 N-(1,1-dioxothiolan-3-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 43757096) is N-(1,1-dioxothiolan-3-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine is CC(C)=CCN1CCC(NC2CCS(=O)(=O)C2)CC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is BSMPUQXHCKNDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-12(2)3-7-16-8-4-13(5-9-16)15-14-6-10-19(17,18)11-14/h3,13-15H,4-11H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-(1,1-dioxothiolan-3-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 286.44 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 43757096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).