2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine

C14H19N5S — CID 63818266

IUPAC2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine
SMILESNCCc1ccccc1Sc1nnnn1C1CCCC1
InChIInChI=1S/C14H19N5S/c15-10-9-11-5-1-4-8-13(11)20-14-16-17-18-19(14)12-6-2-3-7-12/h1,4-5,8,12H,2-3,6-7,9-10,15H2
InChIKeyZAALQKCIJVMRLQ-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.44
Rot. Bonds5

About 2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine

2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine (PubChem CID 63818266) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine
PubChem CID63818266
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine
SMILESNCCc1ccccc1Sc1nnnn1C1CCCC1
InChIInChI=1S/C14H19N5S/c15-10-9-11-5-1-4-8-13(11)20-14-16-17-18-19(14)12-6-2-3-7-12/h1,4-5,8,12H,2-3,6-7,9-10,15H2
InChIKeyZAALQKCIJVMRLQ-UHFFFAOYSA-N
XLogP2.44
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528939
1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]butan-2-amine
CID 63819127
N-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63804432
1-[2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorophenyl]ethanol
CID 63814144
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-fluorobenzoic acid
CID 79516180
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine
CID 43528935
(1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol
CID 103960726
2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 62496544
(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanamine
CID 29276029
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 80882455
[4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine
CID 43530530
3-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-2-methylaniline
CID 43509449

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine?
The IUPAC name of 2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine (CID 63818266) is 2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine.
What is the SMILES notation for 2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine?
The canonical SMILES for 2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine is NCCc1ccccc1Sc1nnnn1C1CCCC1.
What is the InChIKey of 2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine?
The InChIKey is ZAALQKCIJVMRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c15-10-9-11-5-1-4-8-13(11)20-14-16-17-18-19(14)12-6-2-3-7-12/h1,4-5,8,12H,2-3,6-7,9-10,15H2.
What are the key properties of 2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine?
2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine has a molecular weight of 289.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 63818266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).