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

Name: 3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₅N₅O₂S — CID 146144283

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine
PubChem CID	146144283
Molecular Formula	C₁₁H₁₅N₅O₂S
Molecular Weight	281.34 g/mol
Exact Mass	281.09
IUPAC Name	3-[(2-tert-butyltetrazol-5-yl)methylsulfonyl]pyridine
SMILES	CC(C)(C)n1nnc(CS(=O)(=O)c2cccnc2)n1
InChI	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
InChIKey	OHKZVJRNXKTLBT-UHFFFAOYSA-N
XLogP	0.80
TPSA	90.63 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	3
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.34
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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).

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Sources

PubChem CID 146144283 — identifiers, structure, computed properties (public domain)

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