1-(1-cyclobutylbut-3-en-2-ylsulfonyl)piperidin-4-amine

C13H24N2O2S — CID 174634992

IUPAC1-(1-cyclobutylbut-3-en-2-ylsulfonyl)piperidin-4-amine
SMILESC=CC(CC1CCC1)S(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C13H24N2O2S/c1-2-13(10-11-4-3-5-11)18(16,17)15-8-6-12(14)7-9-15/h2,11-13H,1,3-10,14H2
InChIKeyJBDMFPYYUOBWSE-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.48
Rot. Bonds5

About 1-(1-cyclobutylbut-3-en-2-ylsulfonyl)piperidin-4-amine

1-(1-cyclobutylbut-3-en-2-ylsulfonyl)piperidin-4-amine (PubChem CID 174634992) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-(1-cyclobutylbut-3-en-2-ylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1-cyclobutylbut-3-en-2-ylsulfonyl)piperidin-4-amine
PubChem CID174634992
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name1-(1-cyclobutylbut-3-en-2-ylsulfonyl)piperidin-4-amine
SMILESC=CC(CC1CCC1)S(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C13H24N2O2S/c1-2-13(10-11-4-3-5-11)18(16,17)15-8-6-12(14)7-9-15/h2,11-13H,1,3-10,14H2
InChIKeyJBDMFPYYUOBWSE-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Cyclopropylprop-2-enylsulfonyl)piperidin-4-amine
CID 174621323
1-(4-Cyclobutylbut-2-enylsulfonyl)piperidin-4-amine
CID 174634991
N-(cyclohex-3-en-1-ylmethyl)-1-ethylsulfonylpiperidin-4-amine
CID 43208072
N-(cyclohex-3-en-1-ylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43747930
N-(6-bicyclo[3.2.0]hept-3-enyl)-1-ethylsulfonylpiperidin-4-amine
CID 43771742
N-(6-bicyclo[3.2.0]hept-3-enyl)-1-propylsulfonylpiperidin-4-amine
CID 43791488
N-(cyclohex-3-en-1-ylmethyl)-1-piperidin-2-ylmethanesulfonamide
CID 61950769
N-(cyclohex-3-en-1-ylmethyl)-2-piperidin-2-ylethanesulfonamide
CID 61950772
N-cyclohex-3-en-1-yl-1-piperidin-3-ylmethanesulfonamide
CID 65677726
N-cyclohex-3-en-1-yl-1-piperidin-4-ylmethanesulfonamide
CID 65678750
N-(cyclohex-3-en-1-ylmethyl)-1-cyclopropylsulfonylpiperidin-4-amine
CID 75387533
N-(1-piperidin-3-ylethyl)prop-2-ene-1-sulfonamide
CID 79673104

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylbut-3-en-2-ylsulfonyl)piperidin-4-amine?
The IUPAC name of 1-(1-cyclobutylbut-3-en-2-ylsulfonyl)piperidin-4-amine (CID 174634992) is 1-(1-cyclobutylbut-3-en-2-ylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 1-(1-cyclobutylbut-3-en-2-ylsulfonyl)piperidin-4-amine?
The canonical SMILES for 1-(1-cyclobutylbut-3-en-2-ylsulfonyl)piperidin-4-amine is C=CC(CC1CCC1)S(=O)(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(1-cyclobutylbut-3-en-2-ylsulfonyl)piperidin-4-amine?
The InChIKey is JBDMFPYYUOBWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-2-13(10-11-4-3-5-11)18(16,17)15-8-6-12(14)7-9-15/h2,11-13H,1,3-10,14H2.
What are the key properties of 1-(1-cyclobutylbut-3-en-2-ylsulfonyl)piperidin-4-amine?
1-(1-cyclobutylbut-3-en-2-ylsulfonyl)piperidin-4-amine has a molecular weight of 272.41 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylbut-3-en-2-ylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 174634992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).