2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone

C13H21N5OS — CID 1383741

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone
SMILESO=C(CSc1nnnn1C1CCCC1)N1CCCCC1
InChIInChI=1S/C13H21N5OS/c19-12(17-8-4-1-5-9-17)10-20-13-14-15-16-18(13)11-6-2-3-7-11/h11H,1-10H2
InChIKeyOJPHVWSNMWNZJD-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.89
Rot. Bonds4

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone (PubChem CID 1383741) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone
PubChem CID1383741
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone
SMILESO=C(CSc1nnnn1C1CCCC1)N1CCCCC1
InChIInChI=1S/C13H21N5OS/c19-12(17-8-4-1-5-9-17)10-20-13-14-15-16-18(13)11-6-2-3-7-11/h11H,1-10H2
InChIKeyOJPHVWSNMWNZJD-UHFFFAOYSA-N
XLogP1.89
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone (CID 1383741) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone is O=C(CSc1nnnn1C1CCCC1)N1CCCCC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone?
The InChIKey is OJPHVWSNMWNZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c19-12(17-8-4-1-5-9-17)10-20-13-14-15-16-18(13)11-6-2-3-7-11/h11H,1-10H2.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone has a molecular weight of 295.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 1383741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).