6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine

C13H16BrNOS — CID 114710140

IUPAC6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine
SMILESCC1CC2(CS1)CC(N)c1cc(Br)ccc1O2
InChIInChI=1S/C13H16BrNOS/c1-8-5-13(7-17-8)6-11(15)10-4-9(14)2-3-12(10)16-13/h2-4,8,11H,5-7,15H2,1H3
InChIKeyGNHYKGPTRJAUEY-UHFFFAOYSA-N
MW314.25 g/mol
LogP3.50
Rot. Bonds

About 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine

6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine (PubChem CID 114710140) has the molecular formula C13H16BrNOS and a molecular weight of 314.25 g/mol. Its IUPAC name is 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine.

Molecular Properties

Compound Name6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine
PubChem CID114710140
Molecular FormulaC13H16BrNOS
Molecular Weight314.25 g/mol
Exact Mass313.01
IUPAC Name6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine
SMILESCC1CC2(CS1)CC(N)c1cc(Br)ccc1O2
InChIInChI=1S/C13H16BrNOS/c1-8-5-13(7-17-8)6-11(15)10-4-9(14)2-3-12(10)16-13/h2-4,8,11H,5-7,15H2,1H3
InChIKeyGNHYKGPTRJAUEY-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6-bromo-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947157
(4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 104947217
(4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104949633
(4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450839
(4S)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450838
6-bromo-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825088
(4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104947142
6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710156
(4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947164
(4S)-6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947180
(4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947258
6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine
CID 114709977

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine?
The IUPAC name of 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine (CID 114710140) is 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine.
What is the SMILES notation for 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine?
The canonical SMILES for 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine is CC1CC2(CS1)CC(N)c1cc(Br)ccc1O2.
What is the InChIKey of 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine?
The InChIKey is GNHYKGPTRJAUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNOS/c1-8-5-13(7-17-8)6-11(15)10-4-9(14)2-3-12(10)16-13/h2-4,8,11H,5-7,15H2,1H3.
What are the key properties of 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine?
6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine has a molecular weight of 314.25 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine is sourced from PubChem (CID 114710140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).