3,3-dimethyl-1-propylsulfonylpiperidin-4-ol

C10H21NO3S — CID 115269681

IUPAC3,3-dimethyl-1-propylsulfonylpiperidin-4-ol
SMILESCCCS(=O)(=O)N1CCC(O)C(C)(C)C1
InChIInChI=1S/C10H21NO3S/c1-4-7-15(13,14)11-6-5-9(12)10(2,3)8-11/h9,12H,4-8H2,1-3H3
InChIKeyGBOKWCUMLJFWDU-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.82
Rot. Bonds3

About 3,3-dimethyl-1-propylsulfonylpiperidin-4-ol

3,3-dimethyl-1-propylsulfonylpiperidin-4-ol (PubChem CID 115269681) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3,3-dimethyl-1-propylsulfonylpiperidin-4-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-propylsulfonylpiperidin-4-ol
PubChem CID115269681
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name3,3-dimethyl-1-propylsulfonylpiperidin-4-ol
SMILESCCCS(=O)(=O)N1CCC(O)C(C)(C)C1
InChIInChI=1S/C10H21NO3S/c1-4-7-15(13,14)11-6-5-9(12)10(2,3)8-11/h9,12H,4-8H2,1-3H3
InChIKeyGBOKWCUMLJFWDU-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride
CID 120779816
(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970
1-propylsulfonylpyrrolidin-3-ol
CID 62916606
2,2-dimethyl-4-propylsulfonylthiomorpholine
CID 115683071
1-propylsulfonylpiperidine-4-carboxamide
CID 6473107
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 113083115
(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120778075
4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine
CID 110736097
3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride
CID 120779209
4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483
1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone
CID 91921325

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-propylsulfonylpiperidin-4-ol?
The IUPAC name of 3,3-dimethyl-1-propylsulfonylpiperidin-4-ol (CID 115269681) is 3,3-dimethyl-1-propylsulfonylpiperidin-4-ol.
What is the SMILES notation for 3,3-dimethyl-1-propylsulfonylpiperidin-4-ol?
The canonical SMILES for 3,3-dimethyl-1-propylsulfonylpiperidin-4-ol is CCCS(=O)(=O)N1CCC(O)C(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-propylsulfonylpiperidin-4-ol?
The InChIKey is GBOKWCUMLJFWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-4-7-15(13,14)11-6-5-9(12)10(2,3)8-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-propylsulfonylpiperidin-4-ol?
3,3-dimethyl-1-propylsulfonylpiperidin-4-ol has a molecular weight of 235.35 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-propylsulfonylpiperidin-4-ol is sourced from PubChem (CID 115269681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).