3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine

C11H15N5O2S — CID 146144283

IUPAC3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine
SMILESCC(C)(C)n1nnc(CS(=O)(=O)c2cccnc2)n1
InChIInChI=1S/C11H15N5O2S/c1-11(2,3)16-14-10(13-15-16)8-19(17,18)9-5-4-6-12-7-9/h4-7H,8H2,1-3H3
InChIKeyOHKZVJRNXKTLBT-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.80
Rot. Bonds3

About 3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine

3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine (PubChem CID 146144283) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine.

Molecular Properties

Compound Name3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine
PubChem CID146144283
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine
SMILESCC(C)(C)n1nnc(CS(=O)(=O)c2cccnc2)n1
InChIInChI=1S/C11H15N5O2S/c1-11(2,3)16-14-10(13-15-16)8-19(17,18)9-5-4-6-12-7-9/h4-7H,8H2,1-3H3
InChIKeyOHKZVJRNXKTLBT-UHFFFAOYSA-N
XLogP0.80
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine
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N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine?
The IUPAC name of 3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine (CID 146144283) is 3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine.
What is the SMILES notation for 3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine?
The canonical SMILES for 3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine is CC(C)(C)n1nnc(CS(=O)(=O)c2cccnc2)n1.
What is the InChIKey of 3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine?
The InChIKey is OHKZVJRNXKTLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-11(2,3)16-14-10(13-15-16)8-19(17,18)9-5-4-6-12-7-9/h4-7H,8H2,1-3H3.
What are the key properties of 3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine?
3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine has a molecular weight of 281.34 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine is sourced from PubChem (CID 146144283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).