2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol

C8H14N4OS — CID 43393697

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
SMILESOCCSc1nnnn1C1CCCC1
InChIInChI=1S/C8H14N4OS/c13-5-6-14-8-9-10-11-12(8)7-3-1-2-4-7/h7,13H,1-6H2
InChIKeyAEZQVIQPVOMKGI-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.87
Rot. Bonds4

About 2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol

2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol (PubChem CID 43393697) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
PubChem CID43393697
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol
SMILESOCCSc1nnnn1C1CCCC1
InChIInChI=1S/C8H14N4OS/c13-5-6-14-8-9-10-11-12(8)7-3-1-2-4-7/h7,13H,1-6H2
InChIKeyAEZQVIQPVOMKGI-UHFFFAOYSA-N
XLogP0.87
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol (CID 43393697) is 2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol is OCCSc1nnnn1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol?
The InChIKey is AEZQVIQPVOMKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c13-5-6-14-8-9-10-11-12(8)7-3-1-2-4-7/h7,13H,1-6H2.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol?
2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol has a molecular weight of 214.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanylethanol is sourced from PubChem (CID 43393697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).