(1S,2R)-N-methyl-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide

C12H21N3O3S — CID 162411319

IUPAC(1S,2R)-N-methyl-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
SMILESCNS(=O)(=O)[C@H](C)[C@@H](OC(C)C)c1ncc(C)cn1
InChIInChI=1S/C12H21N3O3S/c1-8(2)18-11(10(4)19(16,17)13-5)12-14-6-9(3)7-15-12/h6-8,10-11,13H,1-5H3/t10-,11-/m1/s1
InChIKeyRFGHIBXARJPYIJ-GHMZBOCLSA-N
MW287.39 g/mol
LogP1.19
Rot. Bonds6

About (1S,2R)-N-methyl-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide

(1S,2R)-N-methyl-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide (PubChem CID 162411319) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is (1S,2R)-N-methyl-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide.

Molecular Properties

Compound Name(1S,2R)-N-methyl-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
PubChem CID162411319
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name(1S,2R)-N-methyl-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
SMILESCNS(=O)(=O)[C@H](C)[C@@H](OC(C)C)c1ncc(C)cn1
InChIInChI=1S/C12H21N3O3S/c1-8(2)18-11(10(4)19(16,17)13-5)12-14-6-9(3)7-15-12/h6-8,10-11,13H,1-5H3/t10-,11-/m1/s1
InChIKeyRFGHIBXARJPYIJ-GHMZBOCLSA-N
XLogP1.19
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-N-methyl-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?
The IUPAC name of (1S,2R)-N-methyl-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide (CID 162411319) is (1S,2R)-N-methyl-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide.
What is the SMILES notation for (1S,2R)-N-methyl-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?
The canonical SMILES for (1S,2R)-N-methyl-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide is CNS(=O)(=O)[C@H](C)[C@@H](OC(C)C)c1ncc(C)cn1.
What is the InChIKey of (1S,2R)-N-methyl-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?
The InChIKey is RFGHIBXARJPYIJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-8(2)18-11(10(4)19(16,17)13-5)12-14-6-9(3)7-15-12/h6-8,10-11,13H,1-5H3/t10-,11-/m1/s1.
What are the key properties of (1S,2R)-N-methyl-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide?
(1S,2R)-N-methyl-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-N-methyl-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide is sourced from PubChem (CID 162411319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).