2-methyl-6-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfonylpyrimidin-4-yl]-1,2,6-thiadiazinane 1,1-dioxide

C14H23N5O5S2 — CID 137498326

IUPAC2-methyl-6-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfonylpyrimidin-4-yl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESC[C@@H]1COCCN1c1cc(N2CCCN(C)S2(=O)=O)nc(S(C)(=O)=O)n1
InChIInChI=1S/C14H23N5O5S2/c1-11-10-24-8-7-18(11)12-9-13(16-14(15-12)25(3,20)21)19-6-4-5-17(2)26(19,22)23/h9,11H,4-8,10H2,1-3H3/t11-/m1/s1
InChIKeyIVGNPSXNENFKCB-LLVKDONJSA-N
MW405.50 g/mol
LogP-0.51
Rot. Bonds3

About 2-methyl-6-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfonylpyrimidin-4-yl]-1,2,6-thiadiazinane 1,1-dioxide

2-methyl-6-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfonylpyrimidin-4-yl]-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 137498326) has the molecular formula C14H23N5O5S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-methyl-6-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfonylpyrimidin-4-yl]-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-6-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfonylpyrimidin-4-yl]-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID137498326
Molecular FormulaC14H23N5O5S2
Molecular Weight405.50 g/mol
Exact Mass405.11
IUPAC Name2-methyl-6-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfonylpyrimidin-4-yl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESC[C@@H]1COCCN1c1cc(N2CCCN(C)S2(=O)=O)nc(S(C)(=O)=O)n1
InChIInChI=1S/C14H23N5O5S2/c1-11-10-24-8-7-18(11)12-9-13(16-14(15-12)25(3,20)21)19-6-4-5-17(2)26(19,22)23/h9,11H,4-8,10H2,1-3H3/t11-/m1/s1
InChIKeyIVGNPSXNENFKCB-LLVKDONJSA-N
XLogP-0.51
TPSA113.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfonylpyrimidin-4-yl]-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-methyl-6-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfonylpyrimidin-4-yl]-1,2,6-thiadiazinane 1,1-dioxide (CID 137498326) is 2-methyl-6-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfonylpyrimidin-4-yl]-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-methyl-6-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfonylpyrimidin-4-yl]-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-methyl-6-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfonylpyrimidin-4-yl]-1,2,6-thiadiazinane 1,1-dioxide is C[C@@H]1COCCN1c1cc(N2CCCN(C)S2(=O)=O)nc(S(C)(=O)=O)n1.
What is the InChIKey of 2-methyl-6-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfonylpyrimidin-4-yl]-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is IVGNPSXNENFKCB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N5O5S2/c1-11-10-24-8-7-18(11)12-9-13(16-14(15-12)25(3,20)21)19-6-4-5-17(2)26(19,22)23/h9,11H,4-8,10H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-methyl-6-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfonylpyrimidin-4-yl]-1,2,6-thiadiazinane 1,1-dioxide?
2-methyl-6-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfonylpyrimidin-4-yl]-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 405.50 g/mol, XLogP of -0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfonylpyrimidin-4-yl]-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 137498326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).