2-(1-methylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-4-yl)sulfonylmorpholine

C14H21N5O3S — CID 75496306

IUPAC2-(1-methylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-4-yl)sulfonylmorpholine
SMILESCC(C)n1cnc(S(=O)(=O)N2CCOC(c3cnn(C)c3)C2)c1
InChIInChI=1S/C14H21N5O3S/c1-11(2)18-9-14(15-10-18)23(20,21)19-4-5-22-13(8-19)12-6-16-17(3)7-12/h6-7,9-11,13H,4-5,8H2,1-3H3
InChIKeyNRMVKMXLCXQNTB-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.96
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-4-yl)sulfonylmorpholine

2-(1-methylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-4-yl)sulfonylmorpholine (PubChem CID 75496306) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-4-yl)sulfonylmorpholine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-4-yl)sulfonylmorpholine
PubChem CID75496306
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC Name2-(1-methylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-4-yl)sulfonylmorpholine
SMILESCC(C)n1cnc(S(=O)(=O)N2CCOC(c3cnn(C)c3)C2)c1
InChIInChI=1S/C14H21N5O3S/c1-11(2)18-9-14(15-10-18)23(20,21)19-4-5-22-13(8-19)12-6-16-17(3)7-12/h6-7,9-11,13H,4-5,8H2,1-3H3
InChIKeyNRMVKMXLCXQNTB-UHFFFAOYSA-N
XLogP0.96
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-4-yl)sulfonylmorpholine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-4-yl)sulfonylmorpholine (CID 75496306) is 2-(1-methylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-4-yl)sulfonylmorpholine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-4-yl)sulfonylmorpholine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-4-yl)sulfonylmorpholine is CC(C)n1cnc(S(=O)(=O)N2CCOC(c3cnn(C)c3)C2)c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-4-yl)sulfonylmorpholine?
The InChIKey is NRMVKMXLCXQNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S/c1-11(2)18-9-14(15-10-18)23(20,21)19-4-5-22-13(8-19)12-6-16-17(3)7-12/h6-7,9-11,13H,4-5,8H2,1-3H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-4-yl)sulfonylmorpholine?
2-(1-methylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-4-yl)sulfonylmorpholine has a molecular weight of 339.42 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-4-yl)sulfonylmorpholine is sourced from PubChem (CID 75496306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).