[(2S,3S)-3-methyl-1-methylsulfonylpiperidin-2-yl]methanol

C8H17NO3S — CID 169447956

IUPAC[(2S,3S)-3-methyl-1-methylsulfonylpiperidin-2-yl]methanol
SMILESC[C@H]1CCCN(S(C)(=O)=O)[C@@H]1CO
InChIInChI=1S/C8H17NO3S/c1-7-4-3-5-9(8(7)6-10)13(2,11)12/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyJACFLUHHMHHDAJ-JGVFFNPUSA-N
MW207.29 g/mol
LogP0.04
Rot. Bonds2

About [(2S,3S)-3-methyl-1-methylsulfonylpiperidin-2-yl]methanol

[(2S,3S)-3-methyl-1-methylsulfonylpiperidin-2-yl]methanol (PubChem CID 169447956) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is [(2S,3S)-3-methyl-1-methylsulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-methyl-1-methylsulfonylpiperidin-2-yl]methanol
PubChem CID169447956
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name[(2S,3S)-3-methyl-1-methylsulfonylpiperidin-2-yl]methanol
SMILESC[C@H]1CCCN(S(C)(=O)=O)[C@@H]1CO
InChIInChI=1S/C8H17NO3S/c1-7-4-3-5-9(8(7)6-10)13(2,11)12/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyJACFLUHHMHHDAJ-JGVFFNPUSA-N
XLogP0.04
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 ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-methyl-1-methylsulfonylpiperidin-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-methyl-1-methylsulfonylpiperidin-2-yl]methanol (CID 169447956) is [(2S,3S)-3-methyl-1-methylsulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-methyl-1-methylsulfonylpiperidin-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-methyl-1-methylsulfonylpiperidin-2-yl]methanol is C[C@H]1CCCN(S(C)(=O)=O)[C@@H]1CO.
What is the InChIKey of [(2S,3S)-3-methyl-1-methylsulfonylpiperidin-2-yl]methanol?
The InChIKey is JACFLUHHMHHDAJ-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7-4-3-5-9(8(7)6-10)13(2,11)12/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of [(2S,3S)-3-methyl-1-methylsulfonylpiperidin-2-yl]methanol?
[(2S,3S)-3-methyl-1-methylsulfonylpiperidin-2-yl]methanol has a molecular weight of 207.29 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-methyl-1-methylsulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 169447956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).