2-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C15H22N4OS — CID 104874651

IUPAC2-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCCC1CN(c2nc3c(cc2C(N)=NO)CCC3)CCS1
InChIInChI=1S/C15H22N4OS/c1-2-11-9-19(6-7-21-11)15-12(14(16)18-20)8-10-4-3-5-13(10)17-15/h8,11,20H,2-7,9H2,1H3,(H2,16,18)
InChIKeySHYQBVLRGJSHQV-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.00
Rot. Bonds3

About 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

2-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 104874651) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID104874651
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCCC1CN(c2nc3c(cc2C(N)=NO)CCC3)CCS1
InChIInChI=1S/C15H22N4OS/c1-2-11-9-19(6-7-21-11)15-12(14(16)18-20)8-10-4-3-5-13(10)17-15/h8,11,20H,2-7,9H2,1H3,(H2,16,18)
InChIKeySHYQBVLRGJSHQV-UHFFFAOYSA-N
XLogP2.00
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 104874651) is 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is CCC1CN(c2nc3c(cc2C(N)=NO)CCC3)CCS1.
What is the InChIKey of 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is SHYQBVLRGJSHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-2-11-9-19(6-7-21-11)15-12(14(16)18-20)8-10-4-3-5-13(10)17-15/h8,11,20H,2-7,9H2,1H3,(H2,16,18).
What are the key properties of 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
2-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 306.44 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylthiomorpholin-4-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 104874651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).