4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol

C11H23NO3S — CID 80560105

IUPAC4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol
SMILESCCS(=O)(=O)CCCC(O)C1CCNCC1
InChIInChI=1S/C11H23NO3S/c1-2-16(14,15)9-3-4-11(13)10-5-7-12-8-6-10/h10-13H,2-9H2,1H3
InChIKeyMTRSTDBUJBDGJN-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.56
Rot. Bonds6

About 4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol

4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol (PubChem CID 80560105) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol.

Molecular Properties

Compound Name4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol
PubChem CID80560105
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol
SMILESCCS(=O)(=O)CCCC(O)C1CCNCC1
InChIInChI=1S/C11H23NO3S/c1-2-16(14,15)9-3-4-11(13)10-5-7-12-8-6-10/h10-13H,2-9H2,1H3
InChIKeyMTRSTDBUJBDGJN-UHFFFAOYSA-N
XLogP0.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylsulfonyl-1-piperidin-4-ylbutan-1-ol
CID 80560226
1-cycloheptyl-4-ethylsulfonylbutan-1-ol
CID 65399225
1-piperidin-4-ylpentan-1-ol
CID 19599407
1-cyclopropyl-4-propylsulfonylbutan-1-ol
CID 106729033
1-piperidin-4-ylundecan-1-ol
CID 80560155
1-(4-butylcyclohexyl)-4-ethylsulfonylbutan-1-ol
CID 115803759
4-(3-ethylsulfonyl-1-fluoropropyl)piperidine
CID 106735909
1-cyclopropyl-5-ethylsulfonylpentane-1,2-diol
CID 103456805
1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol
CID 65410771
1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol
CID 65392483
1-cyclopropylpentan-1-ol
CID 551238
2-cyclopropyl-1-piperidin-4-ylethanol
CID 67828644

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol?
The IUPAC name of 4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol (CID 80560105) is 4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol.
What is the SMILES notation for 4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol?
The canonical SMILES for 4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol is CCS(=O)(=O)CCCC(O)C1CCNCC1.
What is the InChIKey of 4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol?
The InChIKey is MTRSTDBUJBDGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-2-16(14,15)9-3-4-11(13)10-5-7-12-8-6-10/h10-13H,2-9H2,1H3.
What are the key properties of 4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol?
4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol has a molecular weight of 249.38 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-piperidin-4-ylbutan-1-ol is sourced from PubChem (CID 80560105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).