[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol

C11H22N2O4S — CID 63005068

IUPAC[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
SMILESCS(=O)(=O)N1CCN(CC2(CO)CCOC2)CC1
InChIInChI=1S/C11H22N2O4S/c1-18(15,16)13-5-3-12(4-6-13)8-11(9-14)2-7-17-10-11/h14H,2-10H2,1H3
InChIKeyIJBKDZXSRBIEPF-UHFFFAOYSA-N
MW278.37 g/mol
LogP-1.04
Rot. Bonds4

About [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol

[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol (PubChem CID 63005068) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
PubChem CID63005068
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
SMILESCS(=O)(=O)N1CCN(CC2(CO)CCOC2)CC1
InChIInChI=1S/C11H22N2O4S/c1-18(15,16)13-5-3-12(4-6-13)8-11(9-14)2-7-17-10-11/h14H,2-10H2,1H3
InChIKeyIJBKDZXSRBIEPF-UHFFFAOYSA-N
XLogP-1.04
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol (CID 63005068) is [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol is CS(=O)(=O)N1CCN(CC2(CO)CCOC2)CC1.
What is the InChIKey of [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol?
The InChIKey is IJBKDZXSRBIEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-18(15,16)13-5-3-12(4-6-13)8-11(9-14)2-7-17-10-11/h14H,2-10H2,1H3.
What are the key properties of [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol?
[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol has a molecular weight of 278.37 g/mol, XLogP of -1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 63005068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).