pyrrolidin-1-yl morpholine-4-carboximidothioate

C9H17N3OS — CID 146817389

IUPACpyrrolidin-1-yl morpholine-4-carboximidothioate
SMILES[H]/N=C(/SN1CCCC1)N1CCOCC1
InChIInChI=1S/C9H17N3OS/c10-9(11-5-7-13-8-6-11)14-12-3-1-2-4-12/h10H,1-8H2/b10-9+
InChIKeySBJGPJMWBPNETN-MDZDMXLPSA-N
MW215.32 g/mol
LogP1.00
Rot. Bonds1

About pyrrolidin-1-yl morpholine-4-carboximidothioate

pyrrolidin-1-yl morpholine-4-carboximidothioate (PubChem CID 146817389) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is pyrrolidin-1-yl morpholine-4-carboximidothioate.

Molecular Properties

Compound Namepyrrolidin-1-yl morpholine-4-carboximidothioate
PubChem CID146817389
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Namepyrrolidin-1-yl morpholine-4-carboximidothioate
SMILES[H]/N=C(/SN1CCCC1)N1CCOCC1
InChIInChI=1S/C9H17N3OS/c10-9(11-5-7-13-8-6-11)14-12-3-1-2-4-12/h10H,1-8H2/b10-9+
InChIKeySBJGPJMWBPNETN-MDZDMXLPSA-N
XLogP1.00
TPSA39.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
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': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Morpholin-4-yl(pyrrolidin-1-yl)methanimine
CID 176964346
Ethane;morpholin-4-yl(pyrrolidin-1-yl)methanimine
CID 177369366

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl morpholine-4-carboximidothioate?
The IUPAC name of pyrrolidin-1-yl morpholine-4-carboximidothioate (CID 146817389) is pyrrolidin-1-yl morpholine-4-carboximidothioate.
What is the SMILES notation for pyrrolidin-1-yl morpholine-4-carboximidothioate?
The canonical SMILES for pyrrolidin-1-yl morpholine-4-carboximidothioate is [H]/N=C(/SN1CCCC1)N1CCOCC1.
What is the InChIKey of pyrrolidin-1-yl morpholine-4-carboximidothioate?
The InChIKey is SBJGPJMWBPNETN-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H17N3OS/c10-9(11-5-7-13-8-6-11)14-12-3-1-2-4-12/h10H,1-8H2/b10-9+.
What are the key properties of pyrrolidin-1-yl morpholine-4-carboximidothioate?
pyrrolidin-1-yl morpholine-4-carboximidothioate has a molecular weight of 215.32 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl morpholine-4-carboximidothioate is sourced from PubChem (CID 146817389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).