1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol

C8H18N2O3S — CID 83708214

IUPAC1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol
SMILESCS(=O)(=O)CC(O)CN1CCNCC1
InChIInChI=1S/C8H18N2O3S/c1-14(12,13)7-8(11)6-10-4-2-9-3-5-10/h8-9,11H,2-7H2,1H3
InChIKeyYRFPXVUHDFWUQL-UHFFFAOYSA-N
MW222.31 g/mol
LogP-1.70
Rot. Bonds4

About 1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol

1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol (PubChem CID 83708214) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol
PubChem CID83708214
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol
SMILESCS(=O)(=O)CC(O)CN1CCNCC1
InChIInChI=1S/C8H18N2O3S/c1-14(12,13)7-8(11)6-10-4-2-9-3-5-10/h8-9,11H,2-7H2,1H3
InChIKeyYRFPXVUHDFWUQL-UHFFFAOYSA-N
XLogP-1.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-hydroxy-3-piperazin-1-ylpropane-1-sulfonic acid
CID 126476628
1-(methylamino)-3-piperazin-1-ylpropan-2-ol
CID 15255603
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
1-(ethylamino)-3-piperazin-1-ylpropan-2-ol
CID 15255604
1-piperazin-1-ylheptan-2-ol
CID 70501156
3-hydroxy-1-piperazin-1-ylbutane-2-sulfonic acid
CID 87724398
2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid;dihydrate
CID 18528807
1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65449253
2-hydroxy-3-pyrrolidin-1-ylpropane-1-sulfonic acid
CID 12046466
1-(dipropylamino)-3-piperazin-1-ylpropan-2-ol
CID 54773428
2-hydroxy-3-[4-(2-hydroxybutyl)piperazin-1-yl]propane-1-sulfonic acid
CID 156729822

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol (CID 83708214) is 1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol is CS(=O)(=O)CC(O)CN1CCNCC1.
What is the InChIKey of 1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol?
The InChIKey is YRFPXVUHDFWUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-14(12,13)7-8(11)6-10-4-2-9-3-5-10/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol?
1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol has a molecular weight of 222.31 g/mol, XLogP of -1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 83708214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).