(2R)-1-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol

C13H28N2O3S — CID 95313455

IUPAC(2R)-1-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCC(CN(C)CCS(C)(=O)=O)CC1
InChIInChI=1S/C13H28N2O3S/c1-12(16)10-15-6-4-13(5-7-15)11-14(2)8-9-19(3,17)18/h12-13,16H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyLEINZTQERGHSRM-GFCCVEGCSA-N
MW292.44 g/mol
LogP0.06
Rot. Bonds7

About (2R)-1-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol

(2R)-1-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 95313455) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is (2R)-1-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID95313455
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name(2R)-1-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCC(CN(C)CCS(C)(=O)=O)CC1
InChIInChI=1S/C13H28N2O3S/c1-12(16)10-15-6-4-13(5-7-15)11-14(2)8-9-19(3,17)18/h12-13,16H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyLEINZTQERGHSRM-GFCCVEGCSA-N
XLogP0.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol (CID 95313455) is (2R)-1-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol is C[C@@H](O)CN1CCC(CN(C)CCS(C)(=O)=O)CC1.
What is the InChIKey of (2R)-1-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is LEINZTQERGHSRM-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-12(16)10-15-6-4-13(5-7-15)11-14(2)8-9-19(3,17)18/h12-13,16H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-1-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol?
(2R)-1-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 292.44 g/mol, XLogP of 0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95313455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).