azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite

C8H20N3O4S- — CID 174892913

IUPACazane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite
SMILESN.O=S([O-])OCCN1CCN(CCO)CC1
InChIInChI=1S/C8H18N2O4S.H3N/c11-7-5-9-1-3-10(4-2-9)6-8-14-15(12)13;/h11H,1-8H2,(H,12,13);1H3/p-1
InChIKeyAPHHFDUAVSCVLZ-UHFFFAOYSA-M
MW254.33 g/mol
LogP-1.43
Rot. Bonds6

About azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite

azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite (PubChem CID 174892913) has the molecular formula C8H20N3O4S- and a molecular weight of 254.33 g/mol. Its IUPAC name is azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite.

Molecular Properties

Compound Nameazane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite
PubChem CID174892913
Molecular FormulaC8H20N3O4S-
Molecular Weight254.33 g/mol
Exact Mass254.12
IUPAC Nameazane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite
SMILESN.O=S([O-])OCCN1CCN(CCO)CC1
InChIInChI=1S/C8H18N2O4S.H3N/c11-7-5-9-1-3-10(4-2-9)6-8-14-15(12)13;/h11H,1-8H2,(H,12,13);1H3/p-1
InChIKeyAPHHFDUAVSCVLZ-UHFFFAOYSA-M
XLogP-1.43
TPSA111.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

3-pyrrolidin-1-ylpropyl sulfite
CID 174785148
bis(ethane-1,2-diol);2-hydroxyethyl sulfite
CID 174827171
4-piperazin-1-ylbutyl sulfite
CID 57144560
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
fluoro hypofluorite;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 70545422
3-(4-phenylpiperazin-1-yl)propyl sulfite
CID 174503214
2-pyrrolidin-1-ylethyl hydrogen sulfite
CID 174831724
2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde
CID 126718821
2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol
CID 100986630
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;[4-(hydroxymethyl)piperazin-1-yl]methanol
CID 69172076
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate
CID 67621651
2-(4-nitropiperazin-1-yl)ethanol
CID 45099637

Frequently Asked Questions

What is the IUPAC name of azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite?
The IUPAC name of azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite (CID 174892913) is azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite.
What is the SMILES notation for azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite?
The canonical SMILES for azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite is N.O=S([O-])OCCN1CCN(CCO)CC1.
What is the InChIKey of azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite?
The InChIKey is APHHFDUAVSCVLZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18N2O4S.H3N/c11-7-5-9-1-3-10(4-2-9)6-8-14-15(12)13;/h11H,1-8H2,(H,12,13);1H3/p-1.
What are the key properties of azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite?
azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite has a molecular weight of 254.33 g/mol, XLogP of -1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite is sourced from PubChem (CID 174892913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).