5-(1-methylsulfonylethyl)-1-phenyltetrazole

C10H12N4O2S — CID 47226147

IUPAC5-(1-methylsulfonylethyl)-1-phenyltetrazole
SMILESCC(c1nnnn1-c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C10H12N4O2S/c1-8(17(2,15)16)10-11-12-13-14(10)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyIWQVNNUKXYEWQZ-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.77
Rot. Bonds3

About 5-(1-methylsulfonylethyl)-1-phenyltetrazole

5-(1-methylsulfonylethyl)-1-phenyltetrazole (PubChem CID 47226147) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 5-(1-methylsulfonylethyl)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(1-methylsulfonylethyl)-1-phenyltetrazole
PubChem CID47226147
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name5-(1-methylsulfonylethyl)-1-phenyltetrazole
SMILESCC(c1nnnn1-c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C10H12N4O2S/c1-8(17(2,15)16)10-11-12-13-14(10)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyIWQVNNUKXYEWQZ-UHFFFAOYSA-N
XLogP0.77
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-5-[1-(1-phenyltetrazol-5-yl)sulfonylbutyl]tetrazole
CID 134982793
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
3-(1-phenyltetrazol-5-yl)pentan-2-ol
CID 63201375
1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine
CID 103084958
N,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine
CID 63197921
(2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide
CID 119328864
N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine
CID 63199558
5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole
CID 10707883
1-phenyltetrazole-5-selenol
CID 173399228
2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide
CID 99160430
1-phenyl-5-propan-2-yloxytetrazole
CID 1263322
N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 122160147

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfonylethyl)-1-phenyltetrazole?
The IUPAC name of 5-(1-methylsulfonylethyl)-1-phenyltetrazole (CID 47226147) is 5-(1-methylsulfonylethyl)-1-phenyltetrazole.
What is the SMILES notation for 5-(1-methylsulfonylethyl)-1-phenyltetrazole?
The canonical SMILES for 5-(1-methylsulfonylethyl)-1-phenyltetrazole is CC(c1nnnn1-c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 5-(1-methylsulfonylethyl)-1-phenyltetrazole?
The InChIKey is IWQVNNUKXYEWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-8(17(2,15)16)10-11-12-13-14(10)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 5-(1-methylsulfonylethyl)-1-phenyltetrazole?
5-(1-methylsulfonylethyl)-1-phenyltetrazole has a molecular weight of 252.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfonylethyl)-1-phenyltetrazole is sourced from PubChem (CID 47226147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).