1-(1-methylpyrazol-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea

C11H19N5O3S2 — CID 56783232

IUPAC1-(1-methylpyrazol-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea
SMILESCn1ccc(NC(=O)NCCS(=O)(=O)N2CCSCC2)n1
InChIInChI=1S/C11H19N5O3S2/c1-15-4-2-10(14-15)13-11(17)12-3-9-21(18,19)16-5-7-20-8-6-16/h2,4H,3,5-9H2,1H3,(H2,12,13,14,17)
InChIKeyMZVKBQJMDFEOHO-UHFFFAOYSA-N
MW333.44 g/mol
LogP-0.08
Rot. Bonds5

About 1-(1-methylpyrazol-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea

1-(1-methylpyrazol-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea (PubChem CID 56783232) has the molecular formula C11H19N5O3S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea
PubChem CID56783232
Molecular FormulaC11H19N5O3S2
Molecular Weight333.44 g/mol
Exact Mass333.09
IUPAC Name1-(1-methylpyrazol-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea
SMILESCn1ccc(NC(=O)NCCS(=O)(=O)N2CCSCC2)n1
InChIInChI=1S/C11H19N5O3S2/c1-15-4-2-10(14-15)13-11(17)12-3-9-21(18,19)16-5-7-20-8-6-16/h2,4H,3,5-9H2,1H3,(H2,12,13,14,17)
InChIKeyMZVKBQJMDFEOHO-UHFFFAOYSA-N
XLogP-0.08
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea (CID 56783232) is 1-(1-methylpyrazol-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea is Cn1ccc(NC(=O)NCCS(=O)(=O)N2CCSCC2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea?
The InChIKey is MZVKBQJMDFEOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S2/c1-15-4-2-10(14-15)13-11(17)12-3-9-21(18,19)16-5-7-20-8-6-16/h2,4H,3,5-9H2,1H3,(H2,12,13,14,17).
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea?
1-(1-methylpyrazol-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea has a molecular weight of 333.44 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)urea is sourced from PubChem (CID 56783232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).