1-(4-cyclobutylbut-2-enylsulfonyl)piperidin-4-amine

C13H24N2O2S — CID 174634991

IUPAC1-(4-cyclobutylbut-2-enylsulfonyl)piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)CC=CCC2CCC2)CC1
InChIInChI=1S/C13H24N2O2S/c14-13-7-9-15(10-8-13)18(16,17)11-2-1-4-12-5-3-6-12/h1-2,12-13H,3-11,14H2
InChIKeyPCNLLFMIUIYDGB-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.49
Rot. Bonds5

About 1-(4-cyclobutylbut-2-enylsulfonyl)piperidin-4-amine

1-(4-cyclobutylbut-2-enylsulfonyl)piperidin-4-amine (PubChem CID 174634991) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-(4-cyclobutylbut-2-enylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-cyclobutylbut-2-enylsulfonyl)piperidin-4-amine
PubChem CID174634991
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name1-(4-cyclobutylbut-2-enylsulfonyl)piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)CC=CCC2CCC2)CC1
InChIInChI=1S/C13H24N2O2S/c14-13-7-9-15(10-8-13)18(16,17)11-2-1-4-12-5-3-6-12/h1-2,12-13H,3-11,14H2
InChIKeyPCNLLFMIUIYDGB-UHFFFAOYSA-N
XLogP1.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.49
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 1-(4-cyclobutylbut-2-enylsulfonyl)piperidin-4-amine?
The IUPAC name of 1-(4-cyclobutylbut-2-enylsulfonyl)piperidin-4-amine (CID 174634991) is 1-(4-cyclobutylbut-2-enylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 1-(4-cyclobutylbut-2-enylsulfonyl)piperidin-4-amine?
The canonical SMILES for 1-(4-cyclobutylbut-2-enylsulfonyl)piperidin-4-amine is NC1CCN(S(=O)(=O)CC=CCC2CCC2)CC1.
What is the InChIKey of 1-(4-cyclobutylbut-2-enylsulfonyl)piperidin-4-amine?
The InChIKey is PCNLLFMIUIYDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c14-13-7-9-15(10-8-13)18(16,17)11-2-1-4-12-5-3-6-12/h1-2,12-13H,3-11,14H2.
What are the key properties of 1-(4-cyclobutylbut-2-enylsulfonyl)piperidin-4-amine?
1-(4-cyclobutylbut-2-enylsulfonyl)piperidin-4-amine has a molecular weight of 272.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylbut-2-enylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 174634991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).