1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole

C16H22N4O2S — CID 647011

IUPAC1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole
SMILESCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C16H22N4O2S/c1-21-14-7-9-15(10-8-14)22-11-12-23-16-17-18-19-20(16)13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3
InChIKeyWMKPQTTUSLAOMX-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.36
Rot. Bonds7

About 1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole

1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole (PubChem CID 647011) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole
PubChem CID647011
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole
SMILESCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C16H22N4O2S/c1-21-14-7-9-15(10-8-14)22-11-12-23-16-17-18-19-20(16)13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3
InChIKeyWMKPQTTUSLAOMX-UHFFFAOYSA-N
XLogP3.36
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethoxy]benzonitrile
CID 27047613
4-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethoxy]benzoic acid
CID 43532421
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 3228988
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 51244829
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 38573156
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 42884380
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 644723
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]ethanone
CID 39687325
1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061939
5-[2-(4-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole
CID 2691118
3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one
CID 7988426

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole?
The IUPAC name of 1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole (CID 647011) is 1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole.
What is the SMILES notation for 1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole?
The canonical SMILES for 1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole is COc1ccc(OCCSc2nnnn2C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole?
The InChIKey is WMKPQTTUSLAOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-21-14-7-9-15(10-8-14)22-11-12-23-16-17-18-19-20(16)13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3.
What are the key properties of 1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole?
1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole has a molecular weight of 334.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole is sourced from PubChem (CID 647011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).