(3S,6S)-2-methyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]oxane-3,5-diol

C10H17N3O3S — CID 174012739

IUPAC(3S,6S)-2-methyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]oxane-3,5-diol
SMILESCC1O[C@@H](SCc2cn(C)nn2)C(O)C[C@@H]1O
InChIInChI=1S/C10H17N3O3S/c1-6-8(14)3-9(15)10(16-6)17-5-7-4-13(2)12-11-7/h4,6,8-10,14-15H,3,5H2,1-2H3/t6?,8-,9?,10-/m0/s1
InChIKeyLTTRMIPQWONSSO-QMQDYSMOSA-N
MW259.33 g/mol
LogP-0.09
Rot. Bonds3

About (3S,6S)-2-methyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]oxane-3,5-diol

(3S,6S)-2-methyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]oxane-3,5-diol (PubChem CID 174012739) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is (3S,6S)-2-methyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]oxane-3,5-diol.

Molecular Properties

Compound Name(3S,6S)-2-methyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]oxane-3,5-diol
PubChem CID174012739
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name(3S,6S)-2-methyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]oxane-3,5-diol
SMILESCC1O[C@@H](SCc2cn(C)nn2)C(O)C[C@@H]1O
InChIInChI=1S/C10H17N3O3S/c1-6-8(14)3-9(15)10(16-6)17-5-7-4-13(2)12-11-7/h4,6,8-10,14-15H,3,5H2,1-2H3/t6?,8-,9?,10-/m0/s1
InChIKeyLTTRMIPQWONSSO-QMQDYSMOSA-N
XLogP-0.09
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S,6S)-2-methyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]oxane-3,5-diol with MolForge

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Related Compounds

2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol
CID 103866287
3-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-amine
CID 115671466
2-methyl-3-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-ol
CID 107055028
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 62755280
(1-methyltriazol-4-yl)methanol;tungsten
CID 163298775
N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 107043593
N-[(1-methyltriazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602288
1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062983
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
2,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-ol
CID 130674404
2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
CID 107046074
ethane;4-ethyl-1-methyltriazole
CID 143593274

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-2-methyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]oxane-3,5-diol?
The IUPAC name of (3S,6S)-2-methyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]oxane-3,5-diol (CID 174012739) is (3S,6S)-2-methyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]oxane-3,5-diol.
What is the SMILES notation for (3S,6S)-2-methyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]oxane-3,5-diol?
The canonical SMILES for (3S,6S)-2-methyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]oxane-3,5-diol is CC1O[C@@H](SCc2cn(C)nn2)C(O)C[C@@H]1O.
What is the InChIKey of (3S,6S)-2-methyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]oxane-3,5-diol?
The InChIKey is LTTRMIPQWONSSO-QMQDYSMOSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-6-8(14)3-9(15)10(16-6)17-5-7-4-13(2)12-11-7/h4,6,8-10,14-15H,3,5H2,1-2H3/t6?,8-,9?,10-/m0/s1.
What are the key properties of (3S,6S)-2-methyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]oxane-3,5-diol?
(3S,6S)-2-methyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]oxane-3,5-diol has a molecular weight of 259.33 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-2-methyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]oxane-3,5-diol is sourced from PubChem (CID 174012739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).