(2S)-5'-bromospiro[1,3-oxathiane-2,3'-1H-indole]-2'-one

C11H10BrNO2S — CID 26385170

IUPAC(2S)-5'-bromospiro[1,3-oxathiane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccc(Br)cc2[C@@]12OCCCS2
InChIInChI=1S/C11H10BrNO2S/c12-7-2-3-9-8(6-7)11(10(14)13-9)15-4-1-5-16-11/h2-3,6H,1,4-5H2,(H,13,14)/t11-/m0/s1
InChIKeyWJJDNGXDTCTXFG-NSHDSACASA-N
MW300.18 g/mol
LogP2.71
Rot. Bonds

About (2S)-5'-bromospiro[1,3-oxathiane-2,3'-1H-indole]-2'-one

(2S)-5'-bromospiro[1,3-oxathiane-2,3'-1H-indole]-2'-one (PubChem CID 26385170) has the molecular formula C11H10BrNO2S and a molecular weight of 300.18 g/mol. Its IUPAC name is (2S)-5'-bromospiro[1,3-oxathiane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name(2S)-5'-bromospiro[1,3-oxathiane-2,3'-1H-indole]-2'-one
PubChem CID26385170
Molecular FormulaC11H10BrNO2S
Molecular Weight300.18 g/mol
Exact Mass298.96
IUPAC Name(2S)-5'-bromospiro[1,3-oxathiane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccc(Br)cc2[C@@]12OCCCS2
InChIInChI=1S/C11H10BrNO2S/c12-7-2-3-9-8(6-7)11(10(14)13-9)15-4-1-5-16-11/h2-3,6H,1,4-5H2,(H,13,14)/t11-/m0/s1
InChIKeyWJJDNGXDTCTXFG-NSHDSACASA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Spiro[indole-3,2'-[1,3]oxathiolan]-2(1H)-one
CID 354665
5'-Bromospiro[1,3-dioxolane-2,3'-[3H]indol]-2'(1'H)-one
CID 2732922
(3S,6'R)-5-bromo-6'-propylspiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 73671711
(2'R,3R)-4-bromo-2',4'-dimethylspiro[1H-indole-3,6'-2,5-dihydropyran]-2-one
CID 49859147
5-Bromo-2-hydroxy-3H-indol-3-yl acetate
CID 57496
5-Bromo-N,O-dipropionyldioxindole
CID 57503
5'-Bromospiro[[1,3]dioxane-2,3'-indolin]-2'-one
CID 711593
5-bromo-1,3-dihydro-3,3-dimethoxy-2H-indol-2-one
CID 21909055
5-bromo-4-fluoro-3-(4-fluorophenyl)-3-methoxy-1H-indol-2-one
CID 177776985
5-Bromo-3-methoxy-1-methyl-3-prop-2-enoxyindol-2-one
CID 101894424
4-bromo-2',4'-dimethylspiro[1H-indole-3,6'-2,5-dihydropyran]-2-one
CID 75307811
5'-bromo-1,4-dihydrospiro[3,1-benzoxazine-2,3'-indol]-2'(1'H)-one
CID 2980188

Frequently Asked Questions

What is the IUPAC name of (2S)-5'-bromospiro[1,3-oxathiane-2,3'-1H-indole]-2'-one?
The IUPAC name of (2S)-5'-bromospiro[1,3-oxathiane-2,3'-1H-indole]-2'-one (CID 26385170) is (2S)-5'-bromospiro[1,3-oxathiane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for (2S)-5'-bromospiro[1,3-oxathiane-2,3'-1H-indole]-2'-one?
The canonical SMILES for (2S)-5'-bromospiro[1,3-oxathiane-2,3'-1H-indole]-2'-one is O=C1Nc2ccc(Br)cc2[C@@]12OCCCS2.
What is the InChIKey of (2S)-5'-bromospiro[1,3-oxathiane-2,3'-1H-indole]-2'-one?
The InChIKey is WJJDNGXDTCTXFG-NSHDSACASA-N. The full InChI is InChI=1S/C11H10BrNO2S/c12-7-2-3-9-8(6-7)11(10(14)13-9)15-4-1-5-16-11/h2-3,6H,1,4-5H2,(H,13,14)/t11-/m0/s1.
What are the key properties of (2S)-5'-bromospiro[1,3-oxathiane-2,3'-1H-indole]-2'-one?
(2S)-5'-bromospiro[1,3-oxathiane-2,3'-1H-indole]-2'-one has a molecular weight of 300.18 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5'-bromospiro[1,3-oxathiane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 26385170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).