4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol

C10H21NO3S — CID 80560226

IUPAC4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)C1CCNCC1
InChIInChI=1S/C10H21NO3S/c1-15(13,14)8-2-3-10(12)9-4-6-11-7-5-9/h9-12H,2-8H2,1H3
InChIKeyUMBROSBPCPGLMT-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.17
Rot. Bonds5

About 4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol

4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol (PubChem CID 80560226) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol.

Molecular Properties

Compound Name4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol
PubChem CID80560226
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)C1CCNCC1
InChIInChI=1S/C10H21NO3S/c1-15(13,14)8-2-3-10(12)9-4-6-11-7-5-9/h9-12H,2-8H2,1H3
InChIKeyUMBROSBPCPGLMT-UHFFFAOYSA-N
XLogP0.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol?
The IUPAC name of 4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol (CID 80560226) is 4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol.
What is the SMILES notation for 4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol?
The canonical SMILES for 4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol is CS(=O)(=O)CCCC(O)C1CCNCC1.
What is the InChIKey of 4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol?
The InChIKey is UMBROSBPCPGLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-15(13,14)8-2-3-10(12)9-4-6-11-7-5-9/h9-12H,2-8H2,1H3.
What are the key properties of 4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol?
4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol has a molecular weight of 235.35 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol is sourced from PubChem (CID 80560226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).