4-cyclopropyl-7-methyl-2,3-dihydro-1,2,4-benzothiadiazine

C11H14N2S — CID 68557678

IUPAC4-cyclopropyl-7-methyl-2,3-dihydro-1,2,4-benzothiadiazine
SMILESCc1ccc2c(c1)SNCN2C1CC1
InChIInChI=1S/C11H14N2S/c1-8-2-5-10-11(6-8)14-12-7-13(10)9-3-4-9/h2,5-6,9,12H,3-4,7H2,1H3
InChIKeyUFIXEOHYLXCXMT-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.53
Rot. Bonds1

About 4-cyclopropyl-7-methyl-2,3-dihydro-1,2,4-benzothiadiazine

4-cyclopropyl-7-methyl-2,3-dihydro-1,2,4-benzothiadiazine (PubChem CID 68557678) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-cyclopropyl-7-methyl-2,3-dihydro-1,2,4-benzothiadiazine.

Molecular Properties

Compound Name4-cyclopropyl-7-methyl-2,3-dihydro-1,2,4-benzothiadiazine
PubChem CID68557678
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name4-cyclopropyl-7-methyl-2,3-dihydro-1,2,4-benzothiadiazine
SMILESCc1ccc2c(c1)SNCN2C1CC1
InChIInChI=1S/C11H14N2S/c1-8-2-5-10-11(6-8)14-12-7-13(10)9-3-4-9/h2,5-6,9,12H,3-4,7H2,1H3
InChIKeyUFIXEOHYLXCXMT-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-7-methyl-2,3-dihydro-1,2,4-benzothiadiazine?
The IUPAC name of 4-cyclopropyl-7-methyl-2,3-dihydro-1,2,4-benzothiadiazine (CID 68557678) is 4-cyclopropyl-7-methyl-2,3-dihydro-1,2,4-benzothiadiazine.
What is the SMILES notation for 4-cyclopropyl-7-methyl-2,3-dihydro-1,2,4-benzothiadiazine?
The canonical SMILES for 4-cyclopropyl-7-methyl-2,3-dihydro-1,2,4-benzothiadiazine is Cc1ccc2c(c1)SNCN2C1CC1.
What is the InChIKey of 4-cyclopropyl-7-methyl-2,3-dihydro-1,2,4-benzothiadiazine?
The InChIKey is UFIXEOHYLXCXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-8-2-5-10-11(6-8)14-12-7-13(10)9-3-4-9/h2,5-6,9,12H,3-4,7H2,1H3.
What are the key properties of 4-cyclopropyl-7-methyl-2,3-dihydro-1,2,4-benzothiadiazine?
4-cyclopropyl-7-methyl-2,3-dihydro-1,2,4-benzothiadiazine has a molecular weight of 206.31 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-7-methyl-2,3-dihydro-1,2,4-benzothiadiazine is sourced from PubChem (CID 68557678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).