1-(cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine

C11H18N2O2S — CID 156776870

IUPAC1-(cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)CC2=CC=CC2)C1
InChIInChI=1S/C11H18N2O2S/c12-11-6-3-7-13(8-11)16(14,15)9-10-4-1-2-5-10/h1-2,4,11H,3,5-9,12H2
InChIKeyLJMZXUKZIHULBV-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.63
Rot. Bonds3

About 1-(cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine

1-(cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine (PubChem CID 156776870) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine
PubChem CID156776870
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-(cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)CC2=CC=CC2)C1
InChIInChI=1S/C11H18N2O2S/c12-11-6-3-7-13(8-11)16(14,15)9-10-4-1-2-5-10/h1-2,4,11H,3,5-9,12H2
InChIKeyLJMZXUKZIHULBV-UHFFFAOYSA-N
XLogP0.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine?
The IUPAC name of 1-(cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine (CID 156776870) is 1-(cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine.
What is the SMILES notation for 1-(cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine?
The canonical SMILES for 1-(cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine is NC1CCCN(S(=O)(=O)CC2=CC=CC2)C1.
What is the InChIKey of 1-(cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine?
The InChIKey is LJMZXUKZIHULBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c12-11-6-3-7-13(8-11)16(14,15)9-10-4-1-2-5-10/h1-2,4,11H,3,5-9,12H2.
What are the key properties of 1-(cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine?
1-(cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine has a molecular weight of 242.34 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenta-1,3-dien-1-ylmethylsulfonyl)piperidin-3-amine is sourced from PubChem (CID 156776870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).