(7R)-7-[(4-bromophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane

C15H19BrO4S — CID 91297513

IUPAC(7R)-7-[(4-bromophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane
SMILESO=S(=O)(C[C@@H]1CCCC2(C1)OCCO2)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrO4S/c16-13-3-5-14(6-4-13)21(17,18)11-12-2-1-7-15(10-12)19-8-9-20-15/h3-6,12H,1-2,7-11H2/t12-/m1/s1
InChIKeyNSXPUZVGTKSVBN-GFCCVEGCSA-N
MW375.28 g/mol
LogP3.16
Rot. Bonds3

About (7R)-7-[(4-bromophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane

(7R)-7-[(4-bromophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 91297513) has the molecular formula C15H19BrO4S and a molecular weight of 375.28 g/mol. Its IUPAC name is (7R)-7-[(4-bromophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(7R)-7-[(4-bromophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane
PubChem CID91297513
Molecular FormulaC15H19BrO4S
Molecular Weight375.28 g/mol
Exact Mass374.02
IUPAC Name(7R)-7-[(4-bromophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane
SMILESO=S(=O)(C[C@@H]1CCCC2(C1)OCCO2)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrO4S/c16-13-3-5-14(6-4-13)21(17,18)11-12-2-1-7-15(10-12)19-8-9-20-15/h3-6,12H,1-2,7-11H2/t12-/m1/s1
InChIKeyNSXPUZVGTKSVBN-GFCCVEGCSA-N
XLogP3.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7R)-7-[(4-bromophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[(4-bromophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (7R)-7-[(4-bromophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane (CID 91297513) is (7R)-7-[(4-bromophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (7R)-7-[(4-bromophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (7R)-7-[(4-bromophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane is O=S(=O)(C[C@@H]1CCCC2(C1)OCCO2)c1ccc(Br)cc1.
What is the InChIKey of (7R)-7-[(4-bromophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is NSXPUZVGTKSVBN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19BrO4S/c16-13-3-5-14(6-4-13)21(17,18)11-12-2-1-7-15(10-12)19-8-9-20-15/h3-6,12H,1-2,7-11H2/t12-/m1/s1.
What are the key properties of (7R)-7-[(4-bromophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane?
(7R)-7-[(4-bromophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 375.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[(4-bromophenyl)sulfonylmethyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 91297513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).