2-[1-(2-hydroxysulfonothioylethyl)piperazin-2-yl]ethanol

C8H18N2O3S2 — CID 166513972

IUPAC2-[1-(2-hydroxysulfonothioylethyl)piperazin-2-yl]ethanol
SMILESO=S(O)(=S)CCN1CCNCC1CCO
InChIInChI=1S/C8H18N2O3S2/c11-5-1-8-7-9-2-3-10(8)4-6-15(12,13)14/h8-9,11H,1-7H2,(H,12,13,14)
InChIKeyCDLBIMAHQPASIT-UHFFFAOYSA-N
MW254.38 g/mol
LogP-1.14
Rot. Bonds5

About 2-[1-(2-hydroxysulfonothioylethyl)piperazin-2-yl]ethanol

2-[1-(2-hydroxysulfonothioylethyl)piperazin-2-yl]ethanol (PubChem CID 166513972) has the molecular formula C8H18N2O3S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[1-(2-hydroxysulfonothioylethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-hydroxysulfonothioylethyl)piperazin-2-yl]ethanol
PubChem CID166513972
Molecular FormulaC8H18N2O3S2
Molecular Weight254.38 g/mol
Exact Mass254.08
IUPAC Name2-[1-(2-hydroxysulfonothioylethyl)piperazin-2-yl]ethanol
SMILESO=S(O)(=S)CCN1CCNCC1CCO
InChIInChI=1S/C8H18N2O3S2/c11-5-1-8-7-9-2-3-10(8)4-6-15(12,13)14/h8-9,11H,1-7H2,(H,12,13,14)
InChIKeyCDLBIMAHQPASIT-UHFFFAOYSA-N
XLogP-1.14
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid
CID 87289348
2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 95169829
1-(3-methylsulfonylpropyl)-2-propylpiperazine
CID 64832534
2-(1-iodopiperazin-2-yl)ethanol
CID 126690105
2-ethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106725856
2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 7447550
2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 95165232
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
CID 68606927
2-methyl-1-(2-methylsulfonylethyl)piperazine
CID 62674203
1-(2-ethylsulfonylethyl)-2-methylpiperazine
CID 62673181
2-benzyl-1-(2-methylsulfonylethyl)piperazine
CID 64846831

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxysulfonothioylethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-hydroxysulfonothioylethyl)piperazin-2-yl]ethanol (CID 166513972) is 2-[1-(2-hydroxysulfonothioylethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-hydroxysulfonothioylethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-hydroxysulfonothioylethyl)piperazin-2-yl]ethanol is O=S(O)(=S)CCN1CCNCC1CCO.
What is the InChIKey of 2-[1-(2-hydroxysulfonothioylethyl)piperazin-2-yl]ethanol?
The InChIKey is CDLBIMAHQPASIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S2/c11-5-1-8-7-9-2-3-10(8)4-6-15(12,13)14/h8-9,11H,1-7H2,(H,12,13,14).
What are the key properties of 2-[1-(2-hydroxysulfonothioylethyl)piperazin-2-yl]ethanol?
2-[1-(2-hydroxysulfonothioylethyl)piperazin-2-yl]ethanol has a molecular weight of 254.38 g/mol, XLogP of -1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxysulfonothioylethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 166513972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).