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

C10H13N5OS2 — CID 3061976

IUPAC2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfinyl]pyridine
SMILESCn1nnnc1SCCCS(=O)c1ccccn1
InChIInChI=1S/C10H13N5OS2/c1-15-10(12-13-14-15)17-7-4-8-18(16)9-5-2-3-6-11-9/h2-3,5-6H,4,7-8H2,1H3
InChIKeyVOXQTLOEQYFOPR-UHFFFAOYSA-N
MW283.38 g/mol
LogP0.90
Rot. Bonds6

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

2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfinyl]pyridine (PubChem CID 3061976) has the molecular formula C10H13N5OS2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfinyl]pyridine.

Molecular Properties

Compound Name2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfinyl]pyridine
PubChem CID3061976
Molecular FormulaC10H13N5OS2
Molecular Weight283.38 g/mol
Exact Mass283.06
IUPAC Name2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfinyl]pyridine
SMILESCn1nnnc1SCCCS(=O)c1ccccn1
InChIInChI=1S/C10H13N5OS2/c1-15-10(12-13-14-15)17-7-4-8-18(16)9-5-2-3-6-11-9/h2-3,5-6H,4,7-8H2,1H3
InChIKeyVOXQTLOEQYFOPR-UHFFFAOYSA-N
XLogP0.90
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 50.90
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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfinyl]pyridine?
The IUPAC name of 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfinyl]pyridine (CID 3061976) is 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfinyl]pyridine.
What is the SMILES notation for 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfinyl]pyridine?
The canonical SMILES for 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfinyl]pyridine is Cn1nnnc1SCCCS(=O)c1ccccn1.
What is the InChIKey of 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfinyl]pyridine?
The InChIKey is VOXQTLOEQYFOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS2/c1-15-10(12-13-14-15)17-7-4-8-18(16)9-5-2-3-6-11-9/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfinyl]pyridine?
2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfinyl]pyridine has a molecular weight of 283.38 g/mol, XLogP of 0.90, 6 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)sulfanylpropylsulfinyl]pyridine is sourced from PubChem (CID 3061976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).