1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-amine

C11H23N3O2S — CID 67403593

IUPAC1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)CCN2CCCC2)CC1
InChIInChI=1S/C11H23N3O2S/c12-11-3-7-14(8-4-11)17(15,16)10-9-13-5-1-2-6-13/h11H,1-10,12H2
InChIKeyPSYNJMIOIXGFCP-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.16
Rot. Bonds4

About 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-amine

1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-amine (PubChem CID 67403593) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-amine
PubChem CID67403593
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)CCN2CCCC2)CC1
InChIInChI=1S/C11H23N3O2S/c12-11-3-7-14(8-4-11)17(15,16)10-9-13-5-1-2-6-13/h11H,1-10,12H2
InChIKeyPSYNJMIOIXGFCP-UHFFFAOYSA-N
XLogP-0.16
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-amine?
The IUPAC name of 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-amine (CID 67403593) is 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-amine?
The canonical SMILES for 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-amine is NC1CCN(S(=O)(=O)CCN2CCCC2)CC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-amine?
The InChIKey is PSYNJMIOIXGFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c12-11-3-7-14(8-4-11)17(15,16)10-9-13-5-1-2-6-13/h11H,1-10,12H2.
What are the key properties of 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-amine?
1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-amine has a molecular weight of 261.39 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 67403593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).