1-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]sulfonylpiperidin-4-amine

C12H23N3O2S — CID 166904278

IUPAC1-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]sulfonylpiperidin-4-amine
SMILESCN1CCCC1/C=C/S(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C12H23N3O2S/c1-14-7-2-3-12(14)6-10-18(16,17)15-8-4-11(13)5-9-15/h6,10-12H,2-5,7-9,13H2,1H3/b10-6+
InChIKeyXDEGTDYSUJNESA-UXBLZVDNSA-N
MW273.40 g/mol
LogP0.35
Rot. Bonds3

About 1-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]sulfonylpiperidin-4-amine

1-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]sulfonylpiperidin-4-amine (PubChem CID 166904278) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]sulfonylpiperidin-4-amine
PubChem CID166904278
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]sulfonylpiperidin-4-amine
SMILESCN1CCCC1/C=C/S(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C12H23N3O2S/c1-14-7-2-3-12(14)6-10-18(16,17)15-8-4-11(13)5-9-15/h6,10-12H,2-5,7-9,13H2,1H3/b10-6+
InChIKeyXDEGTDYSUJNESA-UXBLZVDNSA-N
XLogP0.35
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]sulfonylpiperidin-4-amine?
The IUPAC name of 1-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]sulfonylpiperidin-4-amine (CID 166904278) is 1-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]sulfonylpiperidin-4-amine?
The canonical SMILES for 1-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]sulfonylpiperidin-4-amine is CN1CCCC1/C=C/S(=O)(=O)N1CCC(N)CC1.
What is the InChIKey of 1-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]sulfonylpiperidin-4-amine?
The InChIKey is XDEGTDYSUJNESA-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-14-7-2-3-12(14)6-10-18(16,17)15-8-4-11(13)5-9-15/h6,10-12H,2-5,7-9,13H2,1H3/b10-6+.
What are the key properties of 1-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]sulfonylpiperidin-4-amine?
1-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]sulfonylpiperidin-4-amine has a molecular weight of 273.40 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]sulfonylpiperidin-4-amine is sourced from PubChem (CID 166904278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).