4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol

C8H17NO5S2 — CID 82842950

IUPAC4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)CS(C)(=O)=O)CC1
InChIInChI=1S/C8H17NO5S2/c1-8(10)3-5-9(6-4-8)16(13,14)7-15(2,11)12/h10H,3-7H2,1-2H3
InChIKeySIOLAIFXQOWMHF-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.83
Rot. Bonds3

About 4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol

4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol (PubChem CID 82842950) has the molecular formula C8H17NO5S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol
PubChem CID82842950
Molecular FormulaC8H17NO5S2
Molecular Weight271.36 g/mol
Exact Mass271.05
IUPAC Name4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)CS(C)(=O)=O)CC1
InChIInChI=1S/C8H17NO5S2/c1-8(10)3-5-9(6-4-8)16(13,14)7-15(2,11)12/h10H,3-7H2,1-2H3
InChIKeySIOLAIFXQOWMHF-UHFFFAOYSA-N
XLogP-0.83
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol?
The IUPAC name of 4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol (CID 82842950) is 4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol?
The canonical SMILES for 4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol is CC1(O)CCN(S(=O)(=O)CS(C)(=O)=O)CC1.
What is the InChIKey of 4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol?
The InChIKey is SIOLAIFXQOWMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5S2/c1-8(10)3-5-9(6-4-8)16(13,14)7-15(2,11)12/h10H,3-7H2,1-2H3.
What are the key properties of 4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol?
4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol has a molecular weight of 271.36 g/mol, XLogP of -0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(methylsulfonylmethylsulfonyl)piperidin-4-ol is sourced from PubChem (CID 82842950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).