2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone

C9H14N4OS — CID 62102676

IUPAC2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone
SMILESNc1ccn(CC(=O)N2CCSCC2)n1
InChIInChI=1S/C9H14N4OS/c10-8-1-2-13(11-8)7-9(14)12-3-5-15-6-4-12/h1-2H,3-7H2,(H2,10,11)
InChIKeyFTJHBWPNEFYFHU-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.04
Rot. Bonds2

About 2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone

2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone (PubChem CID 62102676) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone
PubChem CID62102676
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone
SMILESNc1ccn(CC(=O)N2CCSCC2)n1
InChIInChI=1S/C9H14N4OS/c10-8-1-2-13(11-8)7-9(14)12-3-5-15-6-4-12/h1-2H,3-7H2,(H2,10,11)
InChIKeyFTJHBWPNEFYFHU-UHFFFAOYSA-N
XLogP0.04
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone (CID 62102676) is 2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone is Nc1ccn(CC(=O)N2CCSCC2)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone?
The InChIKey is FTJHBWPNEFYFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c10-8-1-2-13(11-8)7-9(14)12-3-5-15-6-4-12/h1-2H,3-7H2,(H2,10,11).
What are the key properties of 2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone?
2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone has a molecular weight of 226.30 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 62102676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).