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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Related Compounds

4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide
CID 113349181
3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
CID 103904879
3-amino-N-(1-methylsulfonylpiperidin-4-yl)oxolane-3-carboxamide
CID 64893740
3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol
CID 103848335
1-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine
CID 50974135
N-[(3-hydroxyoxolan-3-yl)methyl]morpholine-4-sulfonamide
CID 103848126
4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol
CID 81130595
N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 103848147
3-[[(2-cyclohexylcyclohexyl)amino]methyl]oxolan-3-ol
CID 103904857
1-methylsulfonyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-amine
CID 102896872
N-[(3-hydroxyoxolan-3-yl)methyl]oxane-4-sulfonamide
CID 103848200
(3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol
CID 97108283

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).