1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine

C11H22N2O2S — CID 119974940

IUPAC1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine
SMILESC=CCCS(=O)(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C11H22N2O2S/c1-3-4-9-16(14,15)13-7-5-11(6-8-13)10(2)12/h3,10-11H,1,4-9,12H2,2H3
InChIKeyVKOQYQKFNKGJLG-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.95
Rot. Bonds5

About 1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine

1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine (PubChem CID 119974940) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine
PubChem CID119974940
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine
SMILESC=CCCS(=O)(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C11H22N2O2S/c1-3-4-9-16(14,15)13-7-5-11(6-8-13)10(2)12/h3,10-11H,1,4-9,12H2,2H3
InChIKeyVKOQYQKFNKGJLG-UHFFFAOYSA-N
XLogP0.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.95
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-but-3-enylsulfonylpiperidin-4-amine
CID 119959235
(1-but-3-enylsulfonylpiperidin-4-yl)methanamine
CID 119963888
1-(1-methylsulfonylpiperidin-4-yl)ethanamine
CID 63596040
(S)-(1-but-3-enylsulfonylpiperidin-4-yl)-(4-chlorophenyl)methanol
CID 97239330
1-but-3-enylsulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963081
1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine
CID 63595516
4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine
CID 103495198
1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine
CID 63596216
1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride
CID 119974695
1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine
CID 119974611
1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine
CID 119974717
1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine
CID 63597306

Frequently Asked Questions

What is the IUPAC name of 1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine?
The IUPAC name of 1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine (CID 119974940) is 1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine?
The canonical SMILES for 1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine is C=CCCS(=O)(=O)N1CCC(C(C)N)CC1.
What is the InChIKey of 1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine?
The InChIKey is VKOQYQKFNKGJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-3-4-9-16(14,15)13-7-5-11(6-8-13)10(2)12/h3,10-11H,1,4-9,12H2,2H3.
What are the key properties of 1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine?
1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine has a molecular weight of 246.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-but-3-enylsulfonylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 119974940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).