2-pentyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

C11H17N3O2S — CID 10658688

IUPAC2-pentyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCCCCN1CNc2ccncc2S1(=O)=O
InChIInChI=1S/C11H17N3O2S/c1-2-3-4-7-14-9-13-10-5-6-12-8-11(10)17(14,15)16/h5-6,8,13H,2-4,7,9H2,1H3
InChIKeyKLNQUFAFQMWXIP-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.65
Rot. Bonds4

About 2-pentyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

2-pentyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (PubChem CID 10658688) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-pentyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.

Molecular Properties

Compound Name2-pentyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
PubChem CID10658688
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-pentyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
SMILESCCCCCN1CNc2ccncc2S1(=O)=O
InChIInChI=1S/C11H17N3O2S/c1-2-3-4-7-14-9-13-10-5-6-12-8-11(10)17(14,15)16/h5-6,8,13H,2-4,7,9H2,1H3
InChIKeyKLNQUFAFQMWXIP-UHFFFAOYSA-N
XLogP1.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-pentyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The IUPAC name of 2-pentyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide (CID 10658688) is 2-pentyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide.
What is the SMILES notation for 2-pentyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The canonical SMILES for 2-pentyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is CCCCCN1CNc2ccncc2S1(=O)=O.
What is the InChIKey of 2-pentyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
The InChIKey is KLNQUFAFQMWXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-3-4-7-14-9-13-10-5-6-12-8-11(10)17(14,15)16/h5-6,8,13H,2-4,7,9H2,1H3.
What are the key properties of 2-pentyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide?
2-pentyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide has a molecular weight of 255.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-3,4-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide is sourced from PubChem (CID 10658688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).