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

C11H19N3O4S — CID 81219252

IUPAC[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCOC(CO)C1
InChIInChI=1S/C11H19N3O4S/c1-8-11(9(2)13(3)12-8)19(16,17)14-4-5-18-10(6-14)7-15/h10,15H,4-7H2,1-3H3
InChIKeyLDUMASIQDRKMSP-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.58
Rot. Bonds3

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

[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol (PubChem CID 81219252) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is [4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol
PubChem CID81219252
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCOC(CO)C1
InChIInChI=1S/C11H19N3O4S/c1-8-11(9(2)13(3)12-8)19(16,17)14-4-5-18-10(6-14)7-15/h10,15H,4-7H2,1-3H3
InChIKeyLDUMASIQDRKMSP-UHFFFAOYSA-N
XLogP-0.58
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol?
The IUPAC name of [4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol (CID 81219252) is [4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol is Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC(CO)C1.
What is the InChIKey of [4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol?
The InChIKey is LDUMASIQDRKMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-8-11(9(2)13(3)12-8)19(16,17)14-4-5-18-10(6-14)7-15/h10,15H,4-7H2,1-3H3.
What are the key properties of [4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol?
[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol has a molecular weight of 289.36 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol is sourced from PubChem (CID 81219252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).