(4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine

C12H14BrNOS — CID 104947217

IUPAC(4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
SMILESN[C@H]1CC2(CCSC2)Oc2ccc(Br)cc21
InChIInChI=1S/C12H14BrNOS/c13-8-1-2-11-9(5-8)10(14)6-12(15-11)3-4-16-7-12/h1-2,5,10H,3-4,6-7,14H2/t10-,12?/m0/s1
InChIKeyXDLRVYPQUKEXMM-NUHJPDEHSA-N
MW300.22 g/mol
LogP3.11
Rot. Bonds

About (4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine

(4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine (PubChem CID 104947217) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is (4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine.

Molecular Properties

Compound Name(4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
PubChem CID104947217
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC Name(4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
SMILESN[C@H]1CC2(CCSC2)Oc2ccc(Br)cc21
InChIInChI=1S/C12H14BrNOS/c13-8-1-2-11-9(5-8)10(14)6-12(15-11)3-4-16-7-12/h1-2,5,10H,3-4,6-7,14H2/t10-,12?/m0/s1
InChIKeyXDLRVYPQUKEXMM-NUHJPDEHSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 104945232
6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine
CID 114710140
(4S)-6-bromo-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947157
(4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104947142
(4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947164
6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710156
(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
(4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450839
6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114709853
(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

Frequently Asked Questions

What is the IUPAC name of (4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine?
The IUPAC name of (4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine (CID 104947217) is (4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine.
What is the SMILES notation for (4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine?
The canonical SMILES for (4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine is N[C@H]1CC2(CCSC2)Oc2ccc(Br)cc21.
What is the InChIKey of (4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine?
The InChIKey is XDLRVYPQUKEXMM-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H14BrNOS/c13-8-1-2-11-9(5-8)10(14)6-12(15-11)3-4-16-7-12/h1-2,5,10H,3-4,6-7,14H2/t10-,12?/m0/s1.
What are the key properties of (4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine?
(4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine has a molecular weight of 300.22 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine is sourced from PubChem (CID 104947217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).