1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylpiperidine

C15H21N5O3S — CID 658999

IUPAC1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylpiperidine
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H21N5O3S/c1-3-20-15(16-17-18-20)12-7-8-13(23-2)14(11-12)24(21,22)19-9-5-4-6-10-19/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyLOMTVBBRHNTAOW-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.54
Rot. Bonds5

About 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylpiperidine

1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylpiperidine (PubChem CID 658999) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylpiperidine
PubChem CID658999
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylpiperidine
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H21N5O3S/c1-3-20-15(16-17-18-20)12-7-8-13(23-2)14(11-12)24(21,22)19-9-5-4-6-10-19/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyLOMTVBBRHNTAOW-UHFFFAOYSA-N
XLogP1.54
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxybenzenesulfonamide
CID 1204212
2-methoxy-N-(4-methoxyphenyl)-5-(1-methyl-1H-tetraazol-5-yl)benzenesulfonamide
CID 1204214
5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1204217
5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 1236748
N-benzyl-2-methoxy-5-(1-methyl-1H-tetrazol-5-yl)benzenesulfonamide
CID 1547171
5-(1-isopropyl-1H-tetrazol-5-yl)-2-methoxy-N-phenylbenzenesulfonamide
CID 1536257
N-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide
CID 658808
2-methoxy-5-(1-methyl-1H-tetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 1345568
5-(1-ethyl-1H-tetraazol-5-yl)-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 1204213
5-(1-ethyltetrazol-5-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 1911693
1-((4-Fluorophenyl)sulfonyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 155213267
Zinc00972696
CID 1204211

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylpiperidine?
The IUPAC name of 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylpiperidine (CID 658999) is 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylpiperidine.
What is the SMILES notation for 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylpiperidine?
The canonical SMILES for 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylpiperidine is CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylpiperidine?
The InChIKey is LOMTVBBRHNTAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-3-20-15(16-17-18-20)12-7-8-13(23-2)14(11-12)24(21,22)19-9-5-4-6-10-19/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylpiperidine?
1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylpiperidine has a molecular weight of 351.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylpiperidine is sourced from PubChem (CID 658999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).