4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol

C9H19NO3S — CID 130526877

IUPAC4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol
SMILESCC(C)S(=O)(=O)C1CNCCC1(C)O
InChIInChI=1S/C9H19NO3S/c1-7(2)14(12,13)8-6-10-5-4-9(8,3)11/h7-8,10-11H,4-6H2,1-3H3
InChIKeyILFHKHYXAKVRHL-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.08
Rot. Bonds2

About 4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol

4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol (PubChem CID 130526877) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol.

Molecular Properties

Compound Name4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol
PubChem CID130526877
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol
SMILESCC(C)S(=O)(=O)C1CNCCC1(C)O
InChIInChI=1S/C9H19NO3S/c1-7(2)14(12,13)8-6-10-5-4-9(8,3)11/h7-8,10-11H,4-6H2,1-3H3
InChIKeyILFHKHYXAKVRHL-UHFFFAOYSA-N
XLogP-0.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-4-methylpiperidine-3,4-diol
CID 55285415
(3R)-3,4-dimethylpiperidin-4-ol
CID 153404832
4-methyl-3-(2-methylpropoxy)piperidin-4-ol
CID 130495455
2-propan-2-ylsulfonylpiperazine
CID 173179926
(3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile
CID 130972078
3-propan-2-ylsulfonylazepane
CID 102921107
4-methyl-3,4-di(propan-2-yl)piperidine
CID 79320143
3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol
CID 130746790
2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide
CID 130495510
3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol
CID 130495487
N-propan-2-ylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide
CID 103308054
4,4-difluoro-3-propan-2-ylpiperidine
CID 84651634

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol?
The IUPAC name of 4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol (CID 130526877) is 4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol.
What is the SMILES notation for 4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol?
The canonical SMILES for 4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol is CC(C)S(=O)(=O)C1CNCCC1(C)O.
What is the InChIKey of 4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol?
The InChIKey is ILFHKHYXAKVRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-7(2)14(12,13)8-6-10-5-4-9(8,3)11/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of 4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol?
4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol has a molecular weight of 221.32 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol is sourced from PubChem (CID 130526877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).