3-(4-methyl-1H-pyrazol-5-yl)-4-thiophen-2-ylsulfonylmorpholine

C12H15N3O3S2 — CID 110132456

IUPAC3-(4-methyl-1H-pyrazol-5-yl)-4-thiophen-2-ylsulfonylmorpholine
SMILESCc1cn[nH]c1C1COCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C12H15N3O3S2/c1-9-7-13-14-12(9)10-8-18-5-4-15(10)20(16,17)11-3-2-6-19-11/h2-3,6-7,10H,4-5,8H2,1H3,(H,13,14)
InChIKeyRZMQVLDCZZPORW-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.54
Rot. Bonds3

About 3-(4-methyl-1H-pyrazol-5-yl)-4-thiophen-2-ylsulfonylmorpholine

3-(4-methyl-1H-pyrazol-5-yl)-4-thiophen-2-ylsulfonylmorpholine (PubChem CID 110132456) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(4-methyl-1H-pyrazol-5-yl)-4-thiophen-2-ylsulfonylmorpholine.

Molecular Properties

Compound Name3-(4-methyl-1H-pyrazol-5-yl)-4-thiophen-2-ylsulfonylmorpholine
PubChem CID110132456
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC Name3-(4-methyl-1H-pyrazol-5-yl)-4-thiophen-2-ylsulfonylmorpholine
SMILESCc1cn[nH]c1C1COCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C12H15N3O3S2/c1-9-7-13-14-12(9)10-8-18-5-4-15(10)20(16,17)11-3-2-6-19-11/h2-3,6-7,10H,4-5,8H2,1H3,(H,13,14)
InChIKeyRZMQVLDCZZPORW-UHFFFAOYSA-N
XLogP1.54
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-4-thiophen-2-ylsulfonylmorpholine?
The IUPAC name of 3-(4-methyl-1H-pyrazol-5-yl)-4-thiophen-2-ylsulfonylmorpholine (CID 110132456) is 3-(4-methyl-1H-pyrazol-5-yl)-4-thiophen-2-ylsulfonylmorpholine.
What is the SMILES notation for 3-(4-methyl-1H-pyrazol-5-yl)-4-thiophen-2-ylsulfonylmorpholine?
The canonical SMILES for 3-(4-methyl-1H-pyrazol-5-yl)-4-thiophen-2-ylsulfonylmorpholine is Cc1cn[nH]c1C1COCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of 3-(4-methyl-1H-pyrazol-5-yl)-4-thiophen-2-ylsulfonylmorpholine?
The InChIKey is RZMQVLDCZZPORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-9-7-13-14-12(9)10-8-18-5-4-15(10)20(16,17)11-3-2-6-19-11/h2-3,6-7,10H,4-5,8H2,1H3,(H,13,14).
What are the key properties of 3-(4-methyl-1H-pyrazol-5-yl)-4-thiophen-2-ylsulfonylmorpholine?
3-(4-methyl-1H-pyrazol-5-yl)-4-thiophen-2-ylsulfonylmorpholine has a molecular weight of 313.40 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1H-pyrazol-5-yl)-4-thiophen-2-ylsulfonylmorpholine is sourced from PubChem (CID 110132456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).