1-[2-(1-tert-butyltetrazol-5-yl)sulfanylethyl]piperidine

C12H23N5S — CID 56810244

IUPAC1-[2-(1-tert-butyltetrazol-5-yl)sulfanylethyl]piperidine
SMILESCC(C)(C)n1nnnc1SCCN1CCCCC1
InChIInChI=1S/C12H23N5S/c1-12(2,3)17-11(13-14-15-17)18-10-9-16-7-5-4-6-8-16/h4-10H2,1-3H3
InChIKeyQIJZTJFWNSSNMJ-UHFFFAOYSA-N
MW269.42 g/mol
LogP2.01
Rot. Bonds4

About 1-[2-(1-tert-butyltetrazol-5-yl)sulfanylethyl]piperidine

1-[2-(1-tert-butyltetrazol-5-yl)sulfanylethyl]piperidine (PubChem CID 56810244) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is 1-[2-(1-tert-butyltetrazol-5-yl)sulfanylethyl]piperidine.

Molecular Properties

Compound Name1-[2-(1-tert-butyltetrazol-5-yl)sulfanylethyl]piperidine
PubChem CID56810244
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC Name1-[2-(1-tert-butyltetrazol-5-yl)sulfanylethyl]piperidine
SMILESCC(C)(C)n1nnnc1SCCN1CCCCC1
InChIInChI=1S/C12H23N5S/c1-12(2,3)17-11(13-14-15-17)18-10-9-16-7-5-4-6-8-16/h4-10H2,1-3H3
InChIKeyQIJZTJFWNSSNMJ-UHFFFAOYSA-N
XLogP2.01
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-tert-butyltetrazol-5-yl)sulfanylethyl]piperidine?
The IUPAC name of 1-[2-(1-tert-butyltetrazol-5-yl)sulfanylethyl]piperidine (CID 56810244) is 1-[2-(1-tert-butyltetrazol-5-yl)sulfanylethyl]piperidine.
What is the SMILES notation for 1-[2-(1-tert-butyltetrazol-5-yl)sulfanylethyl]piperidine?
The canonical SMILES for 1-[2-(1-tert-butyltetrazol-5-yl)sulfanylethyl]piperidine is CC(C)(C)n1nnnc1SCCN1CCCCC1.
What is the InChIKey of 1-[2-(1-tert-butyltetrazol-5-yl)sulfanylethyl]piperidine?
The InChIKey is QIJZTJFWNSSNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-12(2,3)17-11(13-14-15-17)18-10-9-16-7-5-4-6-8-16/h4-10H2,1-3H3.
What are the key properties of 1-[2-(1-tert-butyltetrazol-5-yl)sulfanylethyl]piperidine?
1-[2-(1-tert-butyltetrazol-5-yl)sulfanylethyl]piperidine has a molecular weight of 269.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-tert-butyltetrazol-5-yl)sulfanylethyl]piperidine is sourced from PubChem (CID 56810244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).