[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone

C14H25N3OS — CID 80553846

IUPAC[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone
SMILESNC1CCN(C2CCN(C(=O)C3CCCS3)C2)CC1
InChIInChI=1S/C14H25N3OS/c15-11-3-6-16(7-4-11)12-5-8-17(10-12)14(18)13-2-1-9-19-13/h11-13H,1-10,15H2
InChIKeyGYMXVEFBFNLURX-UHFFFAOYSA-N
MW283.44 g/mol
LogP0.91
Rot. Bonds2

About [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone

[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone (PubChem CID 80553846) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone
PubChem CID80553846
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone
SMILESNC1CCN(C2CCN(C(=O)C3CCCS3)C2)CC1
InChIInChI=1S/C14H25N3OS/c15-11-3-6-16(7-4-11)12-5-8-17(10-12)14(18)13-2-1-9-19-13/h11-13H,1-10,15H2
InChIKeyGYMXVEFBFNLURX-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone?
The IUPAC name of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone (CID 80553846) is [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone.
What is the SMILES notation for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone?
The canonical SMILES for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone is NC1CCN(C2CCN(C(=O)C3CCCS3)C2)CC1.
What is the InChIKey of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone?
The InChIKey is GYMXVEFBFNLURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c15-11-3-6-16(7-4-11)12-5-8-17(10-12)14(18)13-2-1-9-19-13/h11-13H,1-10,15H2.
What are the key properties of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone?
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone has a molecular weight of 283.44 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone is sourced from PubChem (CID 80553846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).