2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine

C11H15N5S2 — CID 13061964

IUPAC2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine
SMILESCn1nnnc1SCCCSCc1ccccn1
InChIInChI=1S/C11H15N5S2/c1-16-11(13-14-15-16)18-8-4-7-17-9-10-5-2-3-6-12-10/h2-3,5-6H,4,7-9H2,1H3
InChIKeyOKUPPEHYOLHZRG-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.02
Rot. Bonds7

About 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine

2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine (PubChem CID 13061964) has the molecular formula C11H15N5S2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine
PubChem CID13061964
Molecular FormulaC11H15N5S2
Molecular Weight281.41 g/mol
Exact Mass281.08
IUPAC Name2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine
SMILESCn1nnnc1SCCCSCc1ccccn1
InChIInChI=1S/C11H15N5S2/c1-16-11(13-14-15-16)18-8-4-7-17-9-10-5-2-3-6-12-10/h2-3,5-6H,4,7-9H2,1H3
InChIKeyOKUPPEHYOLHZRG-UHFFFAOYSA-N
XLogP2.02
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(1-methyltetrazol-5-yl)sulfanylhexylsulfanyl]pyridine
CID 13061945
4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine
CID 3061975
4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine
CID 13138450
2-[(1-propyltetrazol-5-yl)methylsulfanylmethyl]pyridine
CID 75446599
5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine
CID 13470595
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
2-(2-methylsulfanylethylsulfanylmethyl)pyridine
CID 175223046
3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
CID 43388613
4-(1-methyltetrazol-5-yl)sulfanyl-1-phenylbutan-1-one
CID 13091625
3-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 47024708
[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63882476
[4-[3-(1-methyltetrazol-5-yl)sulfanylpropoxy]phenyl]methanamine
CID 43530185

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine?
The IUPAC name of 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine (CID 13061964) is 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine.
What is the SMILES notation for 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine?
The canonical SMILES for 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine is Cn1nnnc1SCCCSCc1ccccn1.
What is the InChIKey of 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine?
The InChIKey is OKUPPEHYOLHZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S2/c1-16-11(13-14-15-16)18-8-4-7-17-9-10-5-2-3-6-12-10/h2-3,5-6H,4,7-9H2,1H3.
What are the key properties of 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine?
2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine has a molecular weight of 281.41 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine is sourced from PubChem (CID 13061964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).