1-(morpholin-4-ylmethyl)-1,3-diazinane-2-thione

C9H17N3OS — CID 5369296

IUPAC1-(morpholin-4-ylmethyl)-1,3-diazinane-2-thione
SMILESS=C1NCCCN1CN1CCOCC1
InChIInChI=1S/C9H17N3OS/c14-9-10-2-1-3-12(9)8-11-4-6-13-7-5-11/h1-8H2,(H,10,14)
InChIKeyAPGLVAKCUPRLRR-UHFFFAOYSA-N
MW215.32 g/mol
LogP-0.14
Rot. Bonds2

About 1-(morpholin-4-ylmethyl)-1,3-diazinane-2-thione

1-(morpholin-4-ylmethyl)-1,3-diazinane-2-thione (PubChem CID 5369296) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-(morpholin-4-ylmethyl)-1,3-diazinane-2-thione.

Molecular Properties

Compound Name1-(morpholin-4-ylmethyl)-1,3-diazinane-2-thione
PubChem CID5369296
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name1-(morpholin-4-ylmethyl)-1,3-diazinane-2-thione
SMILESS=C1NCCCN1CN1CCOCC1
InChIInChI=1S/C9H17N3OS/c14-9-10-2-1-3-12(9)8-11-4-6-13-7-5-11/h1-8H2,(H,10,14)
InChIKeyAPGLVAKCUPRLRR-UHFFFAOYSA-N
XLogP-0.14
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-4-ylmethyl)-1,3-diazinane-2-thione?
The IUPAC name of 1-(morpholin-4-ylmethyl)-1,3-diazinane-2-thione (CID 5369296) is 1-(morpholin-4-ylmethyl)-1,3-diazinane-2-thione.
What is the SMILES notation for 1-(morpholin-4-ylmethyl)-1,3-diazinane-2-thione?
The canonical SMILES for 1-(morpholin-4-ylmethyl)-1,3-diazinane-2-thione is S=C1NCCCN1CN1CCOCC1.
What is the InChIKey of 1-(morpholin-4-ylmethyl)-1,3-diazinane-2-thione?
The InChIKey is APGLVAKCUPRLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c14-9-10-2-1-3-12(9)8-11-4-6-13-7-5-11/h1-8H2,(H,10,14).
What are the key properties of 1-(morpholin-4-ylmethyl)-1,3-diazinane-2-thione?
1-(morpholin-4-ylmethyl)-1,3-diazinane-2-thione has a molecular weight of 215.32 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-4-ylmethyl)-1,3-diazinane-2-thione is sourced from PubChem (CID 5369296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).