2-[(3-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide

C16H18N2O3S — CID 56668913

IUPAC2-[(3-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCCN1Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H18N2O3S/c19-22(20)17-9-10-18(22)12-15-7-4-8-16(11-15)21-13-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2
InChIKeyMZRXYKYRYPVBPL-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.92
Rot. Bonds5

About 2-[(3-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide

2-[(3-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 56668913) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[(3-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(3-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID56668913
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-[(3-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCCN1Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H18N2O3S/c19-22(20)17-9-10-18(22)12-15-7-4-8-16(11-15)21-13-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2
InChIKeyMZRXYKYRYPVBPL-UHFFFAOYSA-N
XLogP1.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-[(3-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide (CID 56668913) is 2-[(3-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(3-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(3-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide is O=S1(=O)NCCN1Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-[(3-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is MZRXYKYRYPVBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c19-22(20)17-9-10-18(22)12-15-7-4-8-16(11-15)21-13-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2.
What are the key properties of 2-[(3-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
2-[(3-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 318.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 56668913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).