(6S)-6-hydroxy-1-(2-hydroxyethyl)-4,4,6-trimethyl-1,3-diazinane-2-thione

C9H18N2O2S — CID 95987321

IUPAC(6S)-6-hydroxy-1-(2-hydroxyethyl)-4,4,6-trimethyl-1,3-diazinane-2-thione
SMILESCC1(C)C[C@](C)(O)N(CCO)C(=S)N1
InChIInChI=1S/C9H18N2O2S/c1-8(2)6-9(3,13)11(4-5-12)7(14)10-8/h12-13H,4-6H2,1-3H3,(H,10,14)/t9-/m0/s1
InChIKeyWWSAXJZHXLIYDB-VIFPVBQESA-N
MW218.32 g/mol
LogP0.05
Rot. Bonds2

About (6S)-6-hydroxy-1-(2-hydroxyethyl)-4,4,6-trimethyl-1,3-diazinane-2-thione

(6S)-6-hydroxy-1-(2-hydroxyethyl)-4,4,6-trimethyl-1,3-diazinane-2-thione (PubChem CID 95987321) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is (6S)-6-hydroxy-1-(2-hydroxyethyl)-4,4,6-trimethyl-1,3-diazinane-2-thione.

Molecular Properties

Compound Name(6S)-6-hydroxy-1-(2-hydroxyethyl)-4,4,6-trimethyl-1,3-diazinane-2-thione
PubChem CID95987321
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name(6S)-6-hydroxy-1-(2-hydroxyethyl)-4,4,6-trimethyl-1,3-diazinane-2-thione
SMILESCC1(C)C[C@](C)(O)N(CCO)C(=S)N1
InChIInChI=1S/C9H18N2O2S/c1-8(2)6-9(3,13)11(4-5-12)7(14)10-8/h12-13H,4-6H2,1-3H3,(H,10,14)/t9-/m0/s1
InChIKeyWWSAXJZHXLIYDB-VIFPVBQESA-N
XLogP0.05
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-4,4,6-trimethyl-1-(3-triethoxysilylpropyl)-1,3-diazinane-2-thione
CID 3735848
(6S)-1-[(4-fluorophenyl)methyl]-6-hydroxy-4,4,6-trimethyl-1,3-diazinane-2-thione
CID 794281
(6R)-1-[(4-fluorophenyl)methyl]-6-hydroxy-4,4,6-trimethyl-1,3-diazinane-2-thione
CID 794282
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4,4,6-trimethyl-1,3-diazinane-2-thione
CID 3709373
6-hydroxy-4,4,6-trimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2-thione
CID 42650045
(3S,8aR)-3-(hydroxymethyl)-7,7,8a-trimethyl-5-sulfanylidene-6,8-dihydro-3H-[1,3]oxazolo[3,2-c]pyrimidin-2-one
CID 169409369
1-(2-hydroxyethyl)-5,5-dimethylimidazolidin-2-one
CID 70068008
4-hydroxy-4,6,6-trimethyl-1,3-diazinane-2-thione
CID 12597375
[4-amino-3-(6-hydroxy-4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)phenyl]-phenylmethanone
CID 10547089
(9aR)-8,8,9a-trimethyl-6-sulfanylidene-2,4,7,9-tetrahydro-1H-pyrimido[6,1-c][1,2,4]triazin-3-one
CID 7353183
(6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione
CID 1201962
7,7,8a-trimethyl-5-sulfanylidene-6,8-dihydro-1H-imidazo[1,2-c]pyrimidine-2,3-dicarbonitrile
CID 11687426

Frequently Asked Questions

What is the IUPAC name of (6S)-6-hydroxy-1-(2-hydroxyethyl)-4,4,6-trimethyl-1,3-diazinane-2-thione?
The IUPAC name of (6S)-6-hydroxy-1-(2-hydroxyethyl)-4,4,6-trimethyl-1,3-diazinane-2-thione (CID 95987321) is (6S)-6-hydroxy-1-(2-hydroxyethyl)-4,4,6-trimethyl-1,3-diazinane-2-thione.
What is the SMILES notation for (6S)-6-hydroxy-1-(2-hydroxyethyl)-4,4,6-trimethyl-1,3-diazinane-2-thione?
The canonical SMILES for (6S)-6-hydroxy-1-(2-hydroxyethyl)-4,4,6-trimethyl-1,3-diazinane-2-thione is CC1(C)C[C@](C)(O)N(CCO)C(=S)N1.
What is the InChIKey of (6S)-6-hydroxy-1-(2-hydroxyethyl)-4,4,6-trimethyl-1,3-diazinane-2-thione?
The InChIKey is WWSAXJZHXLIYDB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-8(2)6-9(3,13)11(4-5-12)7(14)10-8/h12-13H,4-6H2,1-3H3,(H,10,14)/t9-/m0/s1.
What are the key properties of (6S)-6-hydroxy-1-(2-hydroxyethyl)-4,4,6-trimethyl-1,3-diazinane-2-thione?
(6S)-6-hydroxy-1-(2-hydroxyethyl)-4,4,6-trimethyl-1,3-diazinane-2-thione has a molecular weight of 218.32 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-hydroxy-1-(2-hydroxyethyl)-4,4,6-trimethyl-1,3-diazinane-2-thione is sourced from PubChem (CID 95987321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).