1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-ol

C10H16N2O4S — CID 43502877

IUPAC1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-ol
SMILESCc1cc(CS(=O)(=O)N2CCC(O)CC2)no1
InChIInChI=1S/C10H16N2O4S/c1-8-6-9(11-16-8)7-17(14,15)12-4-2-10(13)3-5-12/h6,10,13H,2-5,7H2,1H3
InChIKeyZOXQIASFHDCHPR-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.27
Rot. Bonds3

About 1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-ol

1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-ol (PubChem CID 43502877) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-ol
PubChem CID43502877
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-ol
SMILESCc1cc(CS(=O)(=O)N2CCC(O)CC2)no1
InChIInChI=1S/C10H16N2O4S/c1-8-6-9(11-16-8)7-17(14,15)12-4-2-10(13)3-5-12/h6,10,13H,2-5,7H2,1H3
InChIKeyZOXQIASFHDCHPR-UHFFFAOYSA-N
XLogP0.27
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-ol?
The IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-ol (CID 43502877) is 1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-ol.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-ol?
The canonical SMILES for 1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-ol is Cc1cc(CS(=O)(=O)N2CCC(O)CC2)no1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-ol?
The InChIKey is ZOXQIASFHDCHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-8-6-9(11-16-8)7-17(14,15)12-4-2-10(13)3-5-12/h6,10,13H,2-5,7H2,1H3.
What are the key properties of 1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-ol?
1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-ol has a molecular weight of 260.31 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-ol is sourced from PubChem (CID 43502877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).