(6R)-1-benzyl-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinane-2-thione

C15H22N2OS — CID 39354593

IUPAC(6R)-1-benzyl-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinane-2-thione
SMILESCN1C(=S)N(Cc2ccccc2)[C@](C)(O)CC1(C)C
InChIInChI=1S/C15H22N2OS/c1-14(2)11-15(3,18)17(13(19)16(14)4)10-12-8-6-5-7-9-12/h5-9,18H,10-11H2,1-4H3/t15-/m1/s1
InChIKeyKWXZJHGWNSVYIQ-OAHLLOKOSA-N
MW278.42 g/mol
LogP2.60
Rot. Bonds2

About (6R)-1-benzyl-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinane-2-thione

(6R)-1-benzyl-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinane-2-thione (PubChem CID 39354593) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is (6R)-1-benzyl-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinane-2-thione.

Molecular Properties

Compound Name(6R)-1-benzyl-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinane-2-thione
PubChem CID39354593
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name(6R)-1-benzyl-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinane-2-thione
SMILESCN1C(=S)N(Cc2ccccc2)[C@](C)(O)CC1(C)C
InChIInChI=1S/C15H22N2OS/c1-14(2)11-15(3,18)17(13(19)16(14)4)10-12-8-6-5-7-9-12/h5-9,18H,10-11H2,1-4H3/t15-/m1/s1
InChIKeyKWXZJHGWNSVYIQ-OAHLLOKOSA-N
XLogP2.60
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
3-benzyl-2,2-dimethylimidazolidin-4-one
CID 57433089
(3R,5S)-1-benzyl-5-hydroxy-3-(2-hydroxyethylsulfanyl)-5-methylpyrrolidin-2-one
CID 164781890
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
4-benzyl-1-methylpiperazine-2,2,6,6-tetrol
CID 129179319
1-benzyl-2,2-dimethyl-3H-quinolin-4-one
CID 139227185
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
2-benzyl-7a-methyl-6,6-diphenyl-5,7-dihydro-1H-pyrrolo[1,2-c]imidazole-3-thione
CID 122394347
(9-benzyl-1,5-dimethyl-1,5,9-triazacyclododec-3-yl)methanol
CID 142177909
6-hydroxy-4,4,6-trimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2-thione
CID 42650045

Frequently Asked Questions

What is the IUPAC name of (6R)-1-benzyl-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinane-2-thione?
The IUPAC name of (6R)-1-benzyl-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinane-2-thione (CID 39354593) is (6R)-1-benzyl-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinane-2-thione.
What is the SMILES notation for (6R)-1-benzyl-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinane-2-thione?
The canonical SMILES for (6R)-1-benzyl-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinane-2-thione is CN1C(=S)N(Cc2ccccc2)[C@](C)(O)CC1(C)C.
What is the InChIKey of (6R)-1-benzyl-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinane-2-thione?
The InChIKey is KWXZJHGWNSVYIQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-14(2)11-15(3,18)17(13(19)16(14)4)10-12-8-6-5-7-9-12/h5-9,18H,10-11H2,1-4H3/t15-/m1/s1.
What are the key properties of (6R)-1-benzyl-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinane-2-thione?
(6R)-1-benzyl-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinane-2-thione has a molecular weight of 278.42 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-benzyl-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinane-2-thione is sourced from PubChem (CID 39354593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).