2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol

C11H22N2O4S — CID 97217854

IUPAC2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol
SMILESO=S(=O)(C[C@@H]1CCOC1)N1CCN(CCO)CC1
InChIInChI=1S/C11H22N2O4S/c14-7-6-12-2-4-13(5-3-12)18(15,16)10-11-1-8-17-9-11/h11,14H,1-10H2/t11-/m1/s1
InChIKeyLMJSIPCTHZXQHR-LLVKDONJSA-N
MW278.37 g/mol
LogP-1.04
Rot. Bonds5

About 2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol

2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol (PubChem CID 97217854) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol
PubChem CID97217854
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol
SMILESO=S(=O)(C[C@@H]1CCOC1)N1CCN(CCO)CC1
InChIInChI=1S/C11H22N2O4S/c14-7-6-12-2-4-13(5-3-12)18(15,16)10-11-1-8-17-9-11/h11,14H,1-10H2/t11-/m1/s1
InChIKeyLMJSIPCTHZXQHR-LLVKDONJSA-N
XLogP-1.04
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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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Related Compounds

1-[[(2R)-1-methylpiperidin-2-yl]methyl]-4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazine
CID 95322985
1-(oxolan-3-ylmethylsulfonyl)-4-(2-pyridin-4-ylethyl)piperazine
CID 154771454
(1S)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol
CID 97321855
2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 63312870
1-(oxolan-3-ylmethylsulfonyl)-1,4-diazepane;hydrochloride
CID 119963176
2-methyl-4-[[4-[[(3S)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 95317374
1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119959448
3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine
CID 119981822
3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine
CID 120779200
[4-(2-hydroxyethyl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 94191646
1-(3,4-difluorophenyl)-4-(oxolan-3-ylmethylsulfonyl)-1,4-diazepane
CID 126797313
2-(4-methylsulfonylpiperazin-1-yl)ethanol
CID 2762426

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol (CID 97217854) is 2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol is O=S(=O)(C[C@@H]1CCOC1)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol?
The InChIKey is LMJSIPCTHZXQHR-LLVKDONJSA-N. The full InChI is InChI=1S/C11H22N2O4S/c14-7-6-12-2-4-13(5-3-12)18(15,16)10-11-1-8-17-9-11/h11,14H,1-10H2/t11-/m1/s1.
What are the key properties of 2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol?
2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol has a molecular weight of 278.37 g/mol, XLogP of -1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 97217854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).