1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol

C11H23NO3S — CID 115873963

IUPAC1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol
SMILESCCS(=O)(=O)CCCN1CCCC(C)(O)C1
InChIInChI=1S/C11H23NO3S/c1-3-16(14,15)9-5-8-12-7-4-6-11(2,13)10-12/h13H,3-10H2,1-2H3
InChIKeyUQILCGIBBGUKAK-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.66
Rot. Bonds5

About 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol

1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol (PubChem CID 115873963) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol
PubChem CID115873963
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol
SMILESCCS(=O)(=O)CCCN1CCCC(C)(O)C1
InChIInChI=1S/C11H23NO3S/c1-3-16(14,15)9-5-8-12-7-4-6-11(2,13)10-12/h13H,3-10H2,1-2H3
InChIKeyUQILCGIBBGUKAK-UHFFFAOYSA-N
XLogP0.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-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

1-(3-ethylsulfonylpropyl)-3-propylpiperidine-3-carboxylic acid
CID 65097732
1-(2-ethylsulfanylethyl)-3-methylpiperidin-3-ol
CID 115873551
N-ethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 115874028
9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
CID 65097156
1-ethyl-4-(3-ethylsulfonylpropyl)azepan-4-ol
CID 65153721
1-(3-ethylsulfonylpropyl)-4-methoxypiperidine-4-carboxylic acid
CID 114284634
6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one
CID 106801627
3-(3,3-difluoropiperidin-1-yl)propane-1-sulfonic acid
CID 175429704
3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethylsulfonyl]propanamide
CID 113249862
1-(3-ethylsulfonylpropyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161897
3-methyl-1-(2-propylsulfonylethyl)azetidin-3-ol
CID 106729226
1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol
CID 115874131

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol (CID 115873963) is 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol is CCS(=O)(=O)CCCN1CCCC(C)(O)C1.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol?
The InChIKey is UQILCGIBBGUKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-3-16(14,15)9-5-8-12-7-4-6-11(2,13)10-12/h13H,3-10H2,1-2H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol?
1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol has a molecular weight of 249.38 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 115873963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).