4-(2-phenylcyclopropyl)oxathiazinane 2,2-dioxide

C12H15NO3S — CID 24761745

IUPAC4-(2-phenylcyclopropyl)oxathiazinane 2,2-dioxide
SMILESO=S1(=O)NC(C2CC2c2ccccc2)CCO1
InChIInChI=1S/C12H15NO3S/c14-17(15)13-12(6-7-16-17)11-8-10(11)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2
InChIKeyGBLRHRQDLYBFLH-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.41
Rot. Bonds2

About 4-(2-phenylcyclopropyl)oxathiazinane 2,2-dioxide

4-(2-phenylcyclopropyl)oxathiazinane 2,2-dioxide (PubChem CID 24761745) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-(2-phenylcyclopropyl)oxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name4-(2-phenylcyclopropyl)oxathiazinane 2,2-dioxide
PubChem CID24761745
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name4-(2-phenylcyclopropyl)oxathiazinane 2,2-dioxide
SMILESO=S1(=O)NC(C2CC2c2ccccc2)CCO1
InChIInChI=1S/C12H15NO3S/c14-17(15)13-12(6-7-16-17)11-8-10(11)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2
InChIKeyGBLRHRQDLYBFLH-UHFFFAOYSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylcyclopropyl)oxathiazinane 2,2-dioxide?
The IUPAC name of 4-(2-phenylcyclopropyl)oxathiazinane 2,2-dioxide (CID 24761745) is 4-(2-phenylcyclopropyl)oxathiazinane 2,2-dioxide.
What is the SMILES notation for 4-(2-phenylcyclopropyl)oxathiazinane 2,2-dioxide?
The canonical SMILES for 4-(2-phenylcyclopropyl)oxathiazinane 2,2-dioxide is O=S1(=O)NC(C2CC2c2ccccc2)CCO1.
What is the InChIKey of 4-(2-phenylcyclopropyl)oxathiazinane 2,2-dioxide?
The InChIKey is GBLRHRQDLYBFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c14-17(15)13-12(6-7-16-17)11-8-10(11)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2.
What are the key properties of 4-(2-phenylcyclopropyl)oxathiazinane 2,2-dioxide?
4-(2-phenylcyclopropyl)oxathiazinane 2,2-dioxide has a molecular weight of 253.32 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylcyclopropyl)oxathiazinane 2,2-dioxide is sourced from PubChem (CID 24761745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).