1,1-dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride

C9H19ClN2O3S — CID 126460539

IUPAC1,1-dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride
SMILESCl.O=S1(=O)CC(O)C(NC2CCNCC2)C1
InChIInChI=1S/C9H18N2O3S.ClH/c12-9-6-15(13,14)5-8(9)11-7-1-3-10-4-2-7;/h7-12H,1-6H2;1H
InChIKeyQZWMFTNKVUPUIX-UHFFFAOYSA-N
MW270.78 g/mol
LogP-1.09
Rot. Bonds2

About 1,1-dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride

1,1-dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride (PubChem CID 126460539) has the molecular formula C9H19ClN2O3S and a molecular weight of 270.78 g/mol. Its IUPAC name is 1,1-dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride.

Molecular Properties

Compound Name1,1-dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride
PubChem CID126460539
Molecular FormulaC9H19ClN2O3S
Molecular Weight270.78 g/mol
Exact Mass270.08
IUPAC Name1,1-dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride
SMILESCl.O=S1(=O)CC(O)C(NC2CCNCC2)C1
InChIInChI=1S/C9H18N2O3S.ClH/c12-9-6-15(13,14)5-8(9)11-7-1-3-10-4-2-7;/h7-12H,1-6H2;1H
InChIKeyQZWMFTNKVUPUIX-UHFFFAOYSA-N
XLogP-1.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride?
The IUPAC name of 1,1-dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride (CID 126460539) is 1,1-dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride.
What is the SMILES notation for 1,1-dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride?
The canonical SMILES for 1,1-dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride is Cl.O=S1(=O)CC(O)C(NC2CCNCC2)C1.
What is the InChIKey of 1,1-dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride?
The InChIKey is QZWMFTNKVUPUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S.ClH/c12-9-6-15(13,14)5-8(9)11-7-1-3-10-4-2-7;/h7-12H,1-6H2;1H.
What are the key properties of 1,1-dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride?
1,1-dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride has a molecular weight of 270.78 g/mol, XLogP of -1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride is sourced from PubChem (CID 126460539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).