(6-methyl-1-methylsulfonylpiperidin-2-yl)methanol

C8H17NO3S — CID 130667035

IUPAC(6-methyl-1-methylsulfonylpiperidin-2-yl)methanol
SMILESCC1CCCC(CO)N1S(C)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-7-4-3-5-8(6-10)9(7)13(2,11)12/h7-8,10H,3-6H2,1-2H3
InChIKeyPVAZEUFSKWVBRB-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.18
Rot. Bonds2

About (6-methyl-1-methylsulfonylpiperidin-2-yl)methanol

(6-methyl-1-methylsulfonylpiperidin-2-yl)methanol (PubChem CID 130667035) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (6-methyl-1-methylsulfonylpiperidin-2-yl)methanol.

Molecular Properties

Compound Name(6-methyl-1-methylsulfonylpiperidin-2-yl)methanol
PubChem CID130667035
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(6-methyl-1-methylsulfonylpiperidin-2-yl)methanol
SMILESCC1CCCC(CO)N1S(C)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-7-4-3-5-8(6-10)9(7)13(2,11)12/h7-8,10H,3-6H2,1-2H3
InChIKeyPVAZEUFSKWVBRB-UHFFFAOYSA-N
XLogP0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol
CID 169447956
1-(1-Methylsulfonylpiperidin-2-yl)ethanol
CID 84067578
1-(1-Methylsulfonylpiperidin-2-yl)propan-1-ol
CID 84068729
1-(4-Methyl-1-methylsulfonylpiperidin-2-yl)ethanol
CID 132307824
[(2S,6S)-6-methyl-1-methylsulfonylpiperidin-2-yl]methanol
CID 172407411
1-[1-(3-Fluoropropylsulfonyl)piperidin-2-yl]ethanol
CID 109866065
1-[1-(3-Fluoropropylsulfonyl)piperidin-2-yl]propan-1-ol
CID 112406971
(1-(Methylsulfonyl)piperidin-2-yl)methanol
CID 3330234
(1-Ethylsulfonylpiperidin-2-yl)methanol
CID 43574451
(1-Methylpiperidin-2-yl)methyl methanesulfonate
CID 44627021
[(2S)-1-methylpiperidin-2-yl]methyl methanesulfonate
CID 59556510
(1-Methylsulfonylpiperidin-2-yl)methyl methanesulfonate
CID 118950105

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1-methylsulfonylpiperidin-2-yl)methanol?
The IUPAC name of (6-methyl-1-methylsulfonylpiperidin-2-yl)methanol (CID 130667035) is (6-methyl-1-methylsulfonylpiperidin-2-yl)methanol.
What is the SMILES notation for (6-methyl-1-methylsulfonylpiperidin-2-yl)methanol?
The canonical SMILES for (6-methyl-1-methylsulfonylpiperidin-2-yl)methanol is CC1CCCC(CO)N1S(C)(=O)=O.
What is the InChIKey of (6-methyl-1-methylsulfonylpiperidin-2-yl)methanol?
The InChIKey is PVAZEUFSKWVBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7-4-3-5-8(6-10)9(7)13(2,11)12/h7-8,10H,3-6H2,1-2H3.
What are the key properties of (6-methyl-1-methylsulfonylpiperidin-2-yl)methanol?
(6-methyl-1-methylsulfonylpiperidin-2-yl)methanol has a molecular weight of 207.29 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1-methylsulfonylpiperidin-2-yl)methanol is sourced from PubChem (CID 130667035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).