(1-ethylpyrazol-3-yl)-thiomorpholin-4-ylmethanone

C10H15N3OS — CID 19579060

IUPAC(1-ethylpyrazol-3-yl)-thiomorpholin-4-ylmethanone
SMILESCCn1ccc(C(=O)N2CCSCC2)n1
InChIInChI=1S/C10H15N3OS/c1-2-13-4-3-9(11-13)10(14)12-5-7-15-8-6-12/h3-4H,2,5-8H2,1H3
InChIKeyXIXJBUKHHOHKOV-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.09
Rot. Bonds2

About (1-ethylpyrazol-3-yl)-thiomorpholin-4-ylmethanone

(1-ethylpyrazol-3-yl)-thiomorpholin-4-ylmethanone (PubChem CID 19579060) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-thiomorpholin-4-ylmethanone
PubChem CID19579060
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name(1-ethylpyrazol-3-yl)-thiomorpholin-4-ylmethanone
SMILESCCn1ccc(C(=O)N2CCSCC2)n1
InChIInChI=1S/C10H15N3OS/c1-2-13-4-3-9(11-13)10(14)12-5-7-15-8-6-12/h3-4H,2,5-8H2,1H3
InChIKeyXIXJBUKHHOHKOV-UHFFFAOYSA-N
XLogP1.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-thiomorpholin-4-ylmethanone (CID 19579060) is (1-ethylpyrazol-3-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-thiomorpholin-4-ylmethanone is CCn1ccc(C(=O)N2CCSCC2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is XIXJBUKHHOHKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-2-13-4-3-9(11-13)10(14)12-5-7-15-8-6-12/h3-4H,2,5-8H2,1H3.
What are the key properties of (1-ethylpyrazol-3-yl)-thiomorpholin-4-ylmethanone?
(1-ethylpyrazol-3-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 225.32 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 19579060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).