9-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

C15H14N2O3S — CID 66823962

IUPAC9-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
SMILESO=S1(=O)CCN2C=CC=C(c3ccc4c(c3)CCO4)C2=N1
InChIInChI=1S/C15H14N2O3S/c18-21(19)9-7-17-6-1-2-13(15(17)16-21)11-3-4-14-12(10-11)5-8-20-14/h1-4,6,10H,5,7-9H2
InChIKeyICCMWTIPKUJRRX-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.58
Rot. Bonds1

About 9-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

9-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide (PubChem CID 66823962) has the molecular formula C15H14N2O3S and a molecular weight of 302.35 g/mol. Its IUPAC name is 9-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide.

Molecular Properties

Compound Name9-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
PubChem CID66823962
Molecular FormulaC15H14N2O3S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Name9-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
SMILESO=S1(=O)CCN2C=CC=C(c3ccc4c(c3)CCO4)C2=N1
InChIInChI=1S/C15H14N2O3S/c18-21(19)9-7-17-6-1-2-13(15(17)16-21)11-3-4-14-12(10-11)5-8-20-14/h1-4,6,10H,5,7-9H2
InChIKeyICCMWTIPKUJRRX-UHFFFAOYSA-N
XLogP1.58
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one
CID 70061931
9-[4-(2,3-dihydro-1-benzofuran-5-yloxy)phenyl]-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
CID 66823827
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
N-(6-acetyl-1,3-benzodioxol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55383083
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619620
[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
CID 71828704
[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperazin-1-yl]-phenylmethanone
CID 55383405
5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid
CID 54974551
2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
CID 114076490
2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 78807949
2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)amino]acetic acid
CID 119171374
3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole
CID 115393480

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide?
The IUPAC name of 9-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide (CID 66823962) is 9-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide.
What is the SMILES notation for 9-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide?
The canonical SMILES for 9-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide is O=S1(=O)CCN2C=CC=C(c3ccc4c(c3)CCO4)C2=N1.
What is the InChIKey of 9-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide?
The InChIKey is ICCMWTIPKUJRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-21(19)9-7-17-6-1-2-13(15(17)16-21)11-3-4-14-12(10-11)5-8-20-14/h1-4,6,10H,5,7-9H2.
What are the key properties of 9-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide?
9-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide has a molecular weight of 302.35 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide is sourced from PubChem (CID 66823962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).