(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride

C9H18ClN3OS — CID 131101939

IUPAC(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)[C@H]2CSCN2)CC1
InChIInChI=1S/C9H17N3OS.ClH/c10-7-1-3-12(4-2-7)9(13)8-5-14-6-11-8;/h7-8,11H,1-6,10H2;1H/t8-;/m1./s1
InChIKeyVLWLLKLJESFQKY-DDWIOCJRSA-N
MW251.78 g/mol
LogP0.02
Rot. Bonds1

About (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride (PubChem CID 131101939) has the molecular formula C9H18ClN3OS and a molecular weight of 251.78 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
PubChem CID131101939
Molecular FormulaC9H18ClN3OS
Molecular Weight251.78 g/mol
Exact Mass251.09
IUPAC Name(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)[C@H]2CSCN2)CC1
InChIInChI=1S/C9H17N3OS.ClH/c10-7-1-3-12(4-2-7)9(13)8-5-14-6-11-8;/h7-8,11H,1-6,10H2;1H/t8-;/m1./s1
InChIKeyVLWLLKLJESFQKY-DDWIOCJRSA-N
XLogP0.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride (CID 131101939) is (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride is Cl.NC1CCN(C(=O)[C@H]2CSCN2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride?
The InChIKey is VLWLLKLJESFQKY-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H17N3OS.ClH/c10-7-1-3-12(4-2-7)9(13)8-5-14-6-11-8;/h7-8,11H,1-6,10H2;1H/t8-;/m1./s1.
What are the key properties of (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride has a molecular weight of 251.78 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 131101939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).