[6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol

C12H21N3O4S — CID 102934932

IUPAC[6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C12H21N3O4S/c1-8-5-15(6-11(7-16)19-8)20(17,18)12-9(2)13-14(4)10(12)3/h8,11,16H,5-7H2,1-4H3
InChIKeyBPODMKHPYIKBHR-UHFFFAOYSA-N
MW303.38 g/mol
LogP-0.19
Rot. Bonds3

About [6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol

[6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol (PubChem CID 102934932) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is [6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol
PubChem CID102934932
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name[6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C12H21N3O4S/c1-8-5-15(6-11(7-16)19-8)20(17,18)12-9(2)13-14(4)10(12)3/h8,11,16H,5-7H2,1-4H3
InChIKeyBPODMKHPYIKBHR-UHFFFAOYSA-N
XLogP-0.19
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol?
The IUPAC name of [6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol (CID 102934932) is [6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol.
What is the SMILES notation for [6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol?
The canonical SMILES for [6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol is Cc1nn(C)c(C)c1S(=O)(=O)N1CC(C)OC(CO)C1.
What is the InChIKey of [6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol?
The InChIKey is BPODMKHPYIKBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-8-5-15(6-11(7-16)19-8)20(17,18)12-9(2)13-14(4)10(12)3/h8,11,16H,5-7H2,1-4H3.
What are the key properties of [6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol?
[6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol has a molecular weight of 303.38 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol is sourced from PubChem (CID 102934932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).