(1R)-1-naphthalen-1-yl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethanol

C18H20N4O2S — CID 166236999

IUPAC(1R)-1-naphthalen-1-yl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethanol
SMILESO[C@@H](CSc1nnnn1C1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C18H20N4O2S/c23-17(16-7-3-5-13-4-1-2-6-15(13)16)12-25-18-19-20-21-22(18)14-8-10-24-11-9-14/h1-7,14,17,23H,8-12H2/t17-/m0/s1
InChIKeyZGCMNSBREYIHSE-KRWDZBQOSA-N
MW356.45 g/mol
LogP3.00
Rot. Bonds5

About (1R)-1-naphthalen-1-yl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethanol

(1R)-1-naphthalen-1-yl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethanol (PubChem CID 166236999) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is (1R)-1-naphthalen-1-yl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethanol.

Molecular Properties

Compound Name(1R)-1-naphthalen-1-yl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethanol
PubChem CID166236999
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name(1R)-1-naphthalen-1-yl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethanol
SMILESO[C@@H](CSc1nnnn1C1CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C18H20N4O2S/c23-17(16-7-3-5-13-4-1-2-6-15(13)16)12-25-18-19-20-21-22(18)14-8-10-24-11-9-14/h1-7,14,17,23H,8-12H2/t17-/m0/s1
InChIKeyZGCMNSBREYIHSE-KRWDZBQOSA-N
XLogP3.00
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-chlorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
CID 110897654
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,6-difluorophenyl)ethanol
CID 110897667
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylpropanoic acid
CID 63098410
1-(3-bromophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
CID 71898278
(1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol
CID 103960726
2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid
CID 43610496
(2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 95347603
5-(3-bromo-2-phenylpropyl)sulfanyl-1-cyclopropyltetrazole
CID 65016228
1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol
CID 46692162
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 107524669
1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 17475750
2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine
CID 27935969

Frequently Asked Questions

What is the IUPAC name of (1R)-1-naphthalen-1-yl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethanol?
The IUPAC name of (1R)-1-naphthalen-1-yl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethanol (CID 166236999) is (1R)-1-naphthalen-1-yl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethanol.
What is the SMILES notation for (1R)-1-naphthalen-1-yl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethanol?
The canonical SMILES for (1R)-1-naphthalen-1-yl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethanol is O[C@@H](CSc1nnnn1C1CCOCC1)c1cccc2ccccc12.
What is the InChIKey of (1R)-1-naphthalen-1-yl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethanol?
The InChIKey is ZGCMNSBREYIHSE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-17(16-7-3-5-13-4-1-2-6-15(13)16)12-25-18-19-20-21-22(18)14-8-10-24-11-9-14/h1-7,14,17,23H,8-12H2/t17-/m0/s1.
What are the key properties of (1R)-1-naphthalen-1-yl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethanol?
(1R)-1-naphthalen-1-yl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethanol has a molecular weight of 356.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-naphthalen-1-yl-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethanol is sourced from PubChem (CID 166236999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).