3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol

C11H22N2O4S — CID 113349162

IUPAC3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol
SMILESCS(=O)(=O)N1CCC(NCC2(O)CCOC2)CC1
InChIInChI=1S/C11H22N2O4S/c1-18(15,16)13-5-2-10(3-6-13)12-8-11(14)4-7-17-9-11/h10,12,14H,2-9H2,1H3
InChIKeyAZEKTMVMJUYLAM-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.85
Rot. Bonds4

About 3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol

3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol (PubChem CID 113349162) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol
PubChem CID113349162
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol
SMILESCS(=O)(=O)N1CCC(NCC2(O)CCOC2)CC1
InChIInChI=1S/C11H22N2O4S/c1-18(15,16)13-5-2-10(3-6-13)12-8-11(14)4-7-17-9-11/h10,12,14H,2-9H2,1H3
InChIKeyAZEKTMVMJUYLAM-UHFFFAOYSA-N
XLogP-0.85
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol (CID 113349162) is 3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol is CS(=O)(=O)N1CCC(NCC2(O)CCOC2)CC1.
What is the InChIKey of 3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol?
The InChIKey is AZEKTMVMJUYLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-18(15,16)13-5-2-10(3-6-13)12-8-11(14)4-7-17-9-11/h10,12,14H,2-9H2,1H3.
What are the key properties of 3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol?
3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol has a molecular weight of 278.37 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 113349162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).