1-[[4-(tetrazol-1-yl)phenyl]sulfanylmethyl]piperidine

C13H17N5S — CID 21423243

IUPAC1-[[4-(tetrazol-1-yl)phenyl]sulfanylmethyl]piperidine
SMILESc1cc(-n2cnnn2)ccc1SCN1CCCCC1
InChIInChI=1S/C13H17N5S/c1-2-8-17(9-3-1)11-19-13-6-4-12(5-7-13)18-10-14-15-16-18/h4-7,10H,1-3,8-9,11H2
InChIKeyZEMUJWMBZZPUNT-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.20
Rot. Bonds4

About 1-[[4-(tetrazol-1-yl)phenyl]sulfanylmethyl]piperidine

1-[[4-(tetrazol-1-yl)phenyl]sulfanylmethyl]piperidine (PubChem CID 21423243) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-[[4-(tetrazol-1-yl)phenyl]sulfanylmethyl]piperidine.

Molecular Properties

Compound Name1-[[4-(tetrazol-1-yl)phenyl]sulfanylmethyl]piperidine
PubChem CID21423243
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name1-[[4-(tetrazol-1-yl)phenyl]sulfanylmethyl]piperidine
SMILESc1cc(-n2cnnn2)ccc1SCN1CCCCC1
InChIInChI=1S/C13H17N5S/c1-2-8-17(9-3-1)11-19-13-6-4-12(5-7-13)18-10-14-15-16-18/h4-7,10H,1-3,8-9,11H2
InChIKeyZEMUJWMBZZPUNT-UHFFFAOYSA-N
XLogP2.20
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-[[4-(tetrazol-1-yl)phenyl]sulfanylmethyl]piperazine
CID 21423238
1-[4-(chloromethylsulfanyl)phenyl]tetrazole
CID 21423225
azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
CID 47006518
[(2R)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 124852882
[4-(tetrazol-1-yl)phenyl]methanol
CID 67038028
3-[4-(tetrazol-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 2445343
1-(4-fluorophenyl)tetrazole
CID 825628
4-(tetrazol-1-yl)phenolate
CID 101371881
(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113545
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 7500751
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide
CID 2449889
(2R)-1-[(2R)-2-(azepan-1-ylmethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]propan-1-one
CID 51583692

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(tetrazol-1-yl)phenyl]sulfanylmethyl]piperidine?
The IUPAC name of 1-[[4-(tetrazol-1-yl)phenyl]sulfanylmethyl]piperidine (CID 21423243) is 1-[[4-(tetrazol-1-yl)phenyl]sulfanylmethyl]piperidine.
What is the SMILES notation for 1-[[4-(tetrazol-1-yl)phenyl]sulfanylmethyl]piperidine?
The canonical SMILES for 1-[[4-(tetrazol-1-yl)phenyl]sulfanylmethyl]piperidine is c1cc(-n2cnnn2)ccc1SCN1CCCCC1.
What is the InChIKey of 1-[[4-(tetrazol-1-yl)phenyl]sulfanylmethyl]piperidine?
The InChIKey is ZEMUJWMBZZPUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-2-8-17(9-3-1)11-19-13-6-4-12(5-7-13)18-10-14-15-16-18/h4-7,10H,1-3,8-9,11H2.
What are the key properties of 1-[[4-(tetrazol-1-yl)phenyl]sulfanylmethyl]piperidine?
1-[[4-(tetrazol-1-yl)phenyl]sulfanylmethyl]piperidine has a molecular weight of 275.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(tetrazol-1-yl)phenyl]sulfanylmethyl]piperidine is sourced from PubChem (CID 21423243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).