(1,1-dioxo-3-piperazin-1-ylthiolan-3-yl)methanol

C9H18N2O3S — CID 63165904

IUPAC(1,1-dioxo-3-piperazin-1-ylthiolan-3-yl)methanol
SMILESO=S1(=O)CCC(CO)(N2CCNCC2)C1
InChIInChI=1S/C9H18N2O3S/c12-7-9(1-6-15(13,14)8-9)11-4-2-10-3-5-11/h10,12H,1-8H2
InChIKeyOOIATHJVWFCDFX-UHFFFAOYSA-N
MW234.32 g/mol
LogP-1.56
Rot. Bonds2

About (1,1-dioxo-3-piperazin-1-ylthiolan-3-yl)methanol

(1,1-dioxo-3-piperazin-1-ylthiolan-3-yl)methanol (PubChem CID 63165904) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is (1,1-dioxo-3-piperazin-1-ylthiolan-3-yl)methanol.

Molecular Properties

Compound Name(1,1-dioxo-3-piperazin-1-ylthiolan-3-yl)methanol
PubChem CID63165904
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name(1,1-dioxo-3-piperazin-1-ylthiolan-3-yl)methanol
SMILESO=S1(=O)CCC(CO)(N2CCNCC2)C1
InChIInChI=1S/C9H18N2O3S/c12-7-9(1-6-15(13,14)8-9)11-4-2-10-3-5-11/h10,12H,1-8H2
InChIKeyOOIATHJVWFCDFX-UHFFFAOYSA-N
XLogP-1.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1,4-diazepan-1-yl)-1,1-dioxothiolan-3-yl]methanol
CID 63166481
2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-ylmethanol
CID 45122045
[(8aR)-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8a-yl]methanol
CID 129365913
(4-piperazin-1-ylthian-4-yl)methanol
CID 61337983
2-(1-piperazin-1-ylcyclohexyl)acetic acid
CID 115035729
methyl 1,1-dioxo-4-piperazin-1-ylthiane-4-carboxylate
CID 54981399
[3-(1,4-diazepan-1-yl)oxolan-3-yl]methanol
CID 63333605
1-(1-ethylcyclopropyl)piperazine
CID 83694598
[1-(1,4-diazepan-1-yl)-3-methoxycyclobutyl]methanol
CID 106823992
[3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 61049242
ethyl 2-[3-(4-methylpiperazin-1-yl)-1,1-dioxothian-3-yl]acetate
CID 65420784
[1-(1,4-diazepan-1-yl)-3-ethylcyclopentyl]methanol
CID 64513850

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-3-piperazin-1-ylthiolan-3-yl)methanol?
The IUPAC name of (1,1-dioxo-3-piperazin-1-ylthiolan-3-yl)methanol (CID 63165904) is (1,1-dioxo-3-piperazin-1-ylthiolan-3-yl)methanol.
What is the SMILES notation for (1,1-dioxo-3-piperazin-1-ylthiolan-3-yl)methanol?
The canonical SMILES for (1,1-dioxo-3-piperazin-1-ylthiolan-3-yl)methanol is O=S1(=O)CCC(CO)(N2CCNCC2)C1.
What is the InChIKey of (1,1-dioxo-3-piperazin-1-ylthiolan-3-yl)methanol?
The InChIKey is OOIATHJVWFCDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c12-7-9(1-6-15(13,14)8-9)11-4-2-10-3-5-11/h10,12H,1-8H2.
What are the key properties of (1,1-dioxo-3-piperazin-1-ylthiolan-3-yl)methanol?
(1,1-dioxo-3-piperazin-1-ylthiolan-3-yl)methanol has a molecular weight of 234.32 g/mol, XLogP of -1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-3-piperazin-1-ylthiolan-3-yl)methanol is sourced from PubChem (CID 63165904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).