5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole

C12H16N4O2S — CID 10707883

IUPAC5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole
SMILESCC[C@H](C)CS(=O)(=O)c1nnnn1-c1ccccc1
InChIInChI=1S/C12H16N4O2S/c1-3-10(2)9-19(17,18)12-13-14-15-16(12)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-/m0/s1
InChIKeyAOLKTDJUWVVEHP-JTQLQIEISA-N
MW280.35 g/mol
LogP1.48
Rot. Bonds5

About 5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole

5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole (PubChem CID 10707883) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole.

Molecular Properties

Compound Name5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole
PubChem CID10707883
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole
SMILESCC[C@H](C)CS(=O)(=O)c1nnnn1-c1ccccc1
InChIInChI=1S/C12H16N4O2S/c1-3-10(2)9-19(17,18)12-13-14-15-16(12)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-/m0/s1
InChIKeyAOLKTDJUWVVEHP-JTQLQIEISA-N
XLogP1.48
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]pyrrolidine-1-carboxamide
CID 162445787
diethyl-[(2S,3S)-2-[(2R,3S)-3-[(2S)-2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]oxiran-2-yl]pentan-3-yl]oxy-propan-2-ylsilane
CID 59444781
3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfonylbutan-2-one
CID 50992481
3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile
CID 3242053
1-phenyl-5-[1-(1-phenyltetrazol-5-yl)sulfonylbutyl]tetrazole
CID 134982793
5-(1-methylsulfonylethyl)-1-phenyltetrazole
CID 47226147
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 55108359
5-[2-(4-fluorophenyl)ethylsulfonyl]-1-phenyltetrazole
CID 56965739
5-(3-nitropropylsulfonyl)-1-phenyltetrazole
CID 72722820
3-(1-phenyltetrazol-5-yl)pentan-2-ol
CID 63201375
methyl 26-(2,2-dimethylpropanoyloxy)-2-[(2S)-1-(1-phenyltetrazol-5-yl)sulfonylpropan-2-yl]hexacosanoate
CID 90126601
[(2R,3S)-3-[2-(1-phenyltetrazol-5-yl)sulfonylethyl]oxiran-2-yl] N,N-di(propan-2-yl)carbamate
CID 71475268

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole?
The IUPAC name of 5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole (CID 10707883) is 5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole.
What is the SMILES notation for 5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole?
The canonical SMILES for 5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole is CC[C@H](C)CS(=O)(=O)c1nnnn1-c1ccccc1.
What is the InChIKey of 5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole?
The InChIKey is AOLKTDJUWVVEHP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-10(2)9-19(17,18)12-13-14-15-16(12)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-/m0/s1.
What are the key properties of 5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole?
5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole has a molecular weight of 280.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole is sourced from PubChem (CID 10707883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).