(6R)-6-ethoxy-4,4-dimethyl-1,3-diazinane-2-thione

C8H16N2OS — CID 685374

IUPAC(6R)-6-ethoxy-4,4-dimethyl-1,3-diazinane-2-thione
SMILESCCO[C@@H]1CC(C)(C)NC(=S)N1
InChIInChI=1S/C8H16N2OS/c1-4-11-6-5-8(2,3)10-7(12)9-6/h6H,4-5H2,1-3H3,(H2,9,10,12)/t6-/m1/s1
InChIKeyNCDREDVLIOGYER-ZCFIWIBFSA-N
MW188.30 g/mol
LogP1.00
Rot. Bonds2

About (6R)-6-ethoxy-4,4-dimethyl-1,3-diazinane-2-thione

(6R)-6-ethoxy-4,4-dimethyl-1,3-diazinane-2-thione (PubChem CID 685374) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is (6R)-6-ethoxy-4,4-dimethyl-1,3-diazinane-2-thione.

Molecular Properties

Compound Name(6R)-6-ethoxy-4,4-dimethyl-1,3-diazinane-2-thione
PubChem CID685374
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name(6R)-6-ethoxy-4,4-dimethyl-1,3-diazinane-2-thione
SMILESCCO[C@@H]1CC(C)(C)NC(=S)N1
InChIInChI=1S/C8H16N2OS/c1-4-11-6-5-8(2,3)10-7(12)9-6/h6H,4-5H2,1-3H3,(H2,9,10,12)/t6-/m1/s1
InChIKeyNCDREDVLIOGYER-ZCFIWIBFSA-N
XLogP1.00
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (6R)-6-ethoxy-4,4-dimethyl-1,3-diazinane-2-thione?
The IUPAC name of (6R)-6-ethoxy-4,4-dimethyl-1,3-diazinane-2-thione (CID 685374) is (6R)-6-ethoxy-4,4-dimethyl-1,3-diazinane-2-thione.
What is the SMILES notation for (6R)-6-ethoxy-4,4-dimethyl-1,3-diazinane-2-thione?
The canonical SMILES for (6R)-6-ethoxy-4,4-dimethyl-1,3-diazinane-2-thione is CCO[C@@H]1CC(C)(C)NC(=S)N1.
What is the InChIKey of (6R)-6-ethoxy-4,4-dimethyl-1,3-diazinane-2-thione?
The InChIKey is NCDREDVLIOGYER-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-4-11-6-5-8(2,3)10-7(12)9-6/h6H,4-5H2,1-3H3,(H2,9,10,12)/t6-/m1/s1.
What are the key properties of (6R)-6-ethoxy-4,4-dimethyl-1,3-diazinane-2-thione?
(6R)-6-ethoxy-4,4-dimethyl-1,3-diazinane-2-thione has a molecular weight of 188.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-ethoxy-4,4-dimethyl-1,3-diazinane-2-thione is sourced from PubChem (CID 685374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).