1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol

C20H24N4O2S — CID 46692162

IUPAC1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol
SMILESOC(COc1ccc2ccccc2c1)CSc1nnnn1C1CCCCC1
InChIInChI=1S/C20H24N4O2S/c25-18(13-26-19-11-10-15-6-4-5-7-16(15)12-19)14-27-20-21-22-23-24(20)17-8-2-1-3-9-17/h4-7,10-12,17-18,25H,1-3,8-9,13-14H2
InChIKeyYXIMXRWEHOPLGK-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.86
Rot. Bonds7

About 1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol

1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 46692162) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol
PubChem CID46692162
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol
SMILESOC(COc1ccc2ccccc2c1)CSc1nnnn1C1CCCCC1
InChIInChI=1S/C20H24N4O2S/c25-18(13-26-19-11-10-15-6-4-5-7-16(15)12-19)14-27-20-21-22-23-24(20)17-8-2-1-3-9-17/h4-7,10-12,17-18,25H,1-3,8-9,13-14H2
InChIKeyYXIMXRWEHOPLGK-UHFFFAOYSA-N
XLogP3.86
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol (CID 46692162) is 1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol is OC(COc1ccc2ccccc2c1)CSc1nnnn1C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is YXIMXRWEHOPLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c25-18(13-26-19-11-10-15-6-4-5-7-16(15)12-19)14-27-20-21-22-23-24(20)17-8-2-1-3-9-17/h4-7,10-12,17-18,25H,1-3,8-9,13-14H2.
What are the key properties of 1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol?
1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 384.51 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 46692162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).