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

C15H21N3OS — CID 76982935

IUPAC2-(cyclopentylmethylsulfanyl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESNC(=NO)c1cc2c(nc1SCC1CCCC1)CCC2
InChIInChI=1S/C15H21N3OS/c16-14(18-19)12-8-11-6-3-7-13(11)17-15(12)20-9-10-4-1-2-5-10/h8,10,19H,1-7,9H2,(H2,16,18)
InChIKeyBIKWKNAOOAJGAT-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.95
Rot. Bonds4

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

2-(cyclopentylmethylsulfanyl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 76982935) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID76982935
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-(cyclopentylmethylsulfanyl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESNC(=NO)c1cc2c(nc1SCC1CCCC1)CCC2
InChIInChI=1S/C15H21N3OS/c16-14(18-19)12-8-11-6-3-7-13(11)17-15(12)20-9-10-4-1-2-5-10/h8,10,19H,1-7,9H2,(H2,16,18)
InChIKeyBIKWKNAOOAJGAT-UHFFFAOYSA-N
XLogP2.95
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanyl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 76982935) is 2-(cyclopentylmethylsulfanyl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is NC(=NO)c1cc2c(nc1SCC1CCCC1)CCC2.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is BIKWKNAOOAJGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c16-14(18-19)12-8-11-6-3-7-13(11)17-15(12)20-9-10-4-1-2-5-10/h8,10,19H,1-7,9H2,(H2,16,18).
What are the key properties of 2-(cyclopentylmethylsulfanyl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
2-(cyclopentylmethylsulfanyl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 291.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 76982935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).