4-(thiolan-3-yl)morpholine-3-carboximidamide

C9H17N3OS — CID 164661808

IUPAC4-(thiolan-3-yl)morpholine-3-carboximidamide
SMILES[H]/N=C(\N)C1COCCN1C1CCSC1
InChIInChI=1S/C9H17N3OS/c10-9(11)8-5-13-3-2-12(8)7-1-4-14-6-7/h7-8H,1-6H2,(H3,10,11)
InChIKeyPOYKJKMEXRNBHP-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.13
Rot. Bonds2

About 4-(thiolan-3-yl)morpholine-3-carboximidamide

4-(thiolan-3-yl)morpholine-3-carboximidamide (PubChem CID 164661808) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-(thiolan-3-yl)morpholine-3-carboximidamide.

Molecular Properties

Compound Name4-(thiolan-3-yl)morpholine-3-carboximidamide
PubChem CID164661808
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name4-(thiolan-3-yl)morpholine-3-carboximidamide
SMILES[H]/N=C(\N)C1COCCN1C1CCSC1
InChIInChI=1S/C9H17N3OS/c10-9(11)8-5-13-3-2-12(8)7-1-4-14-6-7/h7-8H,1-6H2,(H3,10,11)
InChIKeyPOYKJKMEXRNBHP-UHFFFAOYSA-N
XLogP0.13
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.13
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(thiolan-3-yl)morpholine-3-carboximidamide?
The IUPAC name of 4-(thiolan-3-yl)morpholine-3-carboximidamide (CID 164661808) is 4-(thiolan-3-yl)morpholine-3-carboximidamide.
What is the SMILES notation for 4-(thiolan-3-yl)morpholine-3-carboximidamide?
The canonical SMILES for 4-(thiolan-3-yl)morpholine-3-carboximidamide is [H]/N=C(\N)C1COCCN1C1CCSC1.
What is the InChIKey of 4-(thiolan-3-yl)morpholine-3-carboximidamide?
The InChIKey is POYKJKMEXRNBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c10-9(11)8-5-13-3-2-12(8)7-1-4-14-6-7/h7-8H,1-6H2,(H3,10,11).
What are the key properties of 4-(thiolan-3-yl)morpholine-3-carboximidamide?
4-(thiolan-3-yl)morpholine-3-carboximidamide has a molecular weight of 215.32 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-3-yl)morpholine-3-carboximidamide is sourced from PubChem (CID 164661808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).