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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Related Compounds

Thiophene-3-ol, tetrahydro-4-(1-piperidinyl)-, 1,1-dioxide
CID 2851717
4-(3-Dimethylamino-propylamino)-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol hydrochloride
CID 9549543
4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol
CID 3131601
3-Hydroxy-4-(piperazin-1-yl)-1lambda6-thiolane-1,1-dione dihydrochloride
CID 47002857
4-((2-Hydroxypropyl)amino)-1lambda6-thiane-1,1-dione hydrochloride
CID 75511749
1,1-Dioxo-4-(piperidin-4-ylamino)thiolan-3-ol
CID 23605653
1,1-Dioxo-4-(5,5,5-trifluoropentylamino)thiolan-3-ol
CID 113323221
(4S)-3-{[(1R,2R)-2-fluorocyclopentyl]amino}-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 168021279
(4S)-3-{[(1R,2R)-2-fluorocyclohexyl]amino}-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 168021344
4-(Cyclohexylamino)tetrahydrothiophene-3-ol 1,1-dioxide
CID 307375
4-{[3-(4-Morpholinyl)propyl]amino}tetrahydro-3-thiophenol 1,1-dioxide
CID 2909116
4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol chloride
CID 21179791

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).