dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane

C7H18N2O2S — CID 145139146

IUPACdihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane
SMILESCS(O)(O)CCN1CCNCC1
InChIInChI=1S/C7H18N2O2S/c1-12(10,11)7-6-9-4-2-8-3-5-9/h8,10-11H,2-7H2,1H3
InChIKeyNLSUWPIUMJRLHY-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.27
Rot. Bonds3

About dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane

dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane (PubChem CID 145139146) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane.

Molecular Properties

Compound Namedihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane
PubChem CID145139146
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Namedihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane
SMILESCS(O)(O)CCN1CCNCC1
InChIInChI=1S/C7H18N2O2S/c1-12(10,11)7-6-9-4-2-8-3-5-9/h8,10-11H,2-7H2,1H3
InChIKeyNLSUWPIUMJRLHY-UHFFFAOYSA-N
XLogP0.27
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-ylethanesulfonamide
CID 54595802
2-piperazin-1-ylethanesulfonamide;hydrochloride
CID 86611202
methanamine;2-piperazin-1-ylethanol
CID 142253011
1-hydroxyethyl 2-piperazin-1-ylethanesulfonate
CID 87469546
2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
CID 12963738
2-piperazin-1-ylethanol;dihydrochloride
CID 21254470
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
azane;2-piperazin-1-ylethanol
CID 23318747
hydron;1-propylpiperazine;dibromide
CID 91980567
ethene;2-piperazin-1-ylethanol
CID 175244492
ethanesulfonic acid;1-ethylpiperazine
CID 18427549
4-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 141116403

Frequently Asked Questions

What is the IUPAC name of dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane?
The IUPAC name of dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane (CID 145139146) is dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane.
What is the SMILES notation for dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane?
The canonical SMILES for dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane is CS(O)(O)CCN1CCNCC1.
What is the InChIKey of dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane?
The InChIKey is NLSUWPIUMJRLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-12(10,11)7-6-9-4-2-8-3-5-9/h8,10-11H,2-7H2,1H3.
What are the key properties of dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane?
dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane has a molecular weight of 194.30 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane is sourced from PubChem (CID 145139146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).