3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine

C13H23N5S — CID 62357887

IUPAC3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine
SMILESC1CNCC(CCSc2nnnn2C2CCCC2)C1
InChIInChI=1S/C13H23N5S/c1-2-6-12(5-1)18-13(15-16-17-18)19-9-7-11-4-3-8-14-10-11/h11-12,14H,1-10H2
InChIKeyMGPQPOYSGDHKIB-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.27
Rot. Bonds5

About 3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine

3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine (PubChem CID 62357887) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine.

Molecular Properties

Compound Name3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine
PubChem CID62357887
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine
SMILESC1CNCC(CCSc2nnnn2C2CCCC2)C1
InChIInChI=1S/C13H23N5S/c1-2-6-12(5-1)18-13(15-16-17-18)19-9-7-11-4-3-8-14-10-11/h11-12,14H,1-10H2
InChIKeyMGPQPOYSGDHKIB-UHFFFAOYSA-N
XLogP2.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
3-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 63459585
3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 62355846
3-(2-piperidin-3-ylethylsulfanyl)-1,2,4-triazol-4-amine
CID 62357559
3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 62357888
5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole
CID 43445911
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386323
1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061939
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine
CID 55071080
5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole
CID 43445926
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-2-amine
CID 64648734

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine?
The IUPAC name of 3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine (CID 62357887) is 3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine.
What is the SMILES notation for 3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine?
The canonical SMILES for 3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine is C1CNCC(CCSc2nnnn2C2CCCC2)C1.
What is the InChIKey of 3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine?
The InChIKey is MGPQPOYSGDHKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-2-6-12(5-1)18-13(15-16-17-18)19-9-7-11-4-3-8-14-10-11/h11-12,14H,1-10H2.
What are the key properties of 3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine?
3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine has a molecular weight of 281.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]piperidine is sourced from PubChem (CID 62357887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).