1-(3-methoxyphenyl)-5-propylsulfonyltetrazole

C11H14N4O3S — CID 2215161

IUPAC1-(3-methoxyphenyl)-5-propylsulfonyltetrazole
SMILESCCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1
InChIInChI=1S/C11H14N4O3S/c1-3-7-19(16,17)11-12-13-14-15(11)9-5-4-6-10(8-9)18-2/h4-6,8H,3,7H2,1-2H3
InChIKeyXTHHGLXRVBPKSH-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.85
Rot. Bonds5

About 1-(3-methoxyphenyl)-5-propylsulfonyltetrazole

1-(3-methoxyphenyl)-5-propylsulfonyltetrazole (PubChem CID 2215161) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-propylsulfonyltetrazole.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-propylsulfonyltetrazole
PubChem CID2215161
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name1-(3-methoxyphenyl)-5-propylsulfonyltetrazole
SMILESCCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1
InChIInChI=1S/C11H14N4O3S/c1-3-7-19(16,17)11-12-13-14-15(11)9-5-4-6-10(8-9)18-2/h4-6,8H,3,7H2,1-2H3
InChIKeyXTHHGLXRVBPKSH-UHFFFAOYSA-N
XLogP0.85
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(3-methoxyphenyl)-5-propylsulfonyltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenyl)-5-(methylsulfonyl)-1H-tetrazole
CID 2221997
1-(3-Methoxy-phenyl)-1H-tetrazole
CID 856021
4-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol
CID 666301
N-(4-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075026
5-(2-Phenoxyethylsulfanyl)-1-phenyltetrazole
CID 1594276
2-[1-(2,5-Dimethoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 858302
5-Allylsulfanyl-1-(4-methoxy-phenyl)-1H-tetrazole
CID 553033
5-(benzylsulfonyl)-1-(3-methoxyphenyl)-1H-tetrazole
CID 970664
[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetic acid ethyl ester
CID 649339
2-[(1-allyl-1H-tetrazol-5-yl)thio]-N-(3-methoxyphenyl)acetamide
CID 1300331
5-[(3-Methoxyphenyl)methylsulfonyl]-1-phenyltetrazole
CID 9548435
2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 864595

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-propylsulfonyltetrazole?
The IUPAC name of 1-(3-methoxyphenyl)-5-propylsulfonyltetrazole (CID 2215161) is 1-(3-methoxyphenyl)-5-propylsulfonyltetrazole.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-propylsulfonyltetrazole?
The canonical SMILES for 1-(3-methoxyphenyl)-5-propylsulfonyltetrazole is CCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-propylsulfonyltetrazole?
The InChIKey is XTHHGLXRVBPKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-3-7-19(16,17)11-12-13-14-15(11)9-5-4-6-10(8-9)18-2/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-5-propylsulfonyltetrazole?
1-(3-methoxyphenyl)-5-propylsulfonyltetrazole has a molecular weight of 282.32 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-propylsulfonyltetrazole is sourced from PubChem (CID 2215161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).