2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine

C14H20N6S — CID 62583366

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESc1ccc(CNCCSc2nnnn2C2CCCC2)nc1
InChIInChI=1S/C14H20N6S/c1-2-7-13(6-1)20-14(17-18-19-20)21-10-9-15-11-12-5-3-4-8-16-12/h3-5,8,13,15H,1-2,6-7,9-11H2
InChIKeyRPBCTAWRBTWSOS-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.07
Rot. Bonds7

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 62583366) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID62583366
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine
SMILESc1ccc(CNCCSc2nnnn2C2CCCC2)nc1
InChIInChI=1S/C14H20N6S/c1-2-7-13(6-1)20-14(17-18-19-20)21-10-9-15-11-12-5-3-4-8-16-12/h3-5,8,13,15H,1-2,6-7,9-11H2
InChIKeyRPBCTAWRBTWSOS-UHFFFAOYSA-N
XLogP2.07
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine (CID 62583366) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine is c1ccc(CNCCSc2nnnn2C2CCCC2)nc1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is RPBCTAWRBTWSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-2-7-13(6-1)20-14(17-18-19-20)21-10-9-15-11-12-5-3-4-8-16-12/h3-5,8,13,15H,1-2,6-7,9-11H2.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 304.42 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 62583366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).