6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine

C15H20BrNOS — CID 114713382

IUPAC6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
SMILESCCNC1CC2(CCCSC2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H20BrNOS/c1-2-17-13-9-15(6-3-7-19-10-15)18-14-5-4-11(16)8-12(13)14/h4-5,8,13,17H,2-3,6-7,9-10H2,1H3
InChIKeyDJQMNTWYLCRSGQ-UHFFFAOYSA-N
MW342.30 g/mol
LogP4.15
Rot. Bonds2

About 6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine

6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine (PubChem CID 114713382) has the molecular formula C15H20BrNOS and a molecular weight of 342.30 g/mol. Its IUPAC name is 6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine.

Molecular Properties

Compound Name6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
PubChem CID114713382
Molecular FormulaC15H20BrNOS
Molecular Weight342.30 g/mol
Exact Mass341.04
IUPAC Name6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
SMILESCCNC1CC2(CCCSC2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H20BrNOS/c1-2-17-13-9-15(6-3-7-19-10-15)18-14-5-4-11(16)8-12(13)14/h4-5,8,13,17H,2-3,6-7,9-10H2,1H3
InChIKeyDJQMNTWYLCRSGQ-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114713417
7-bromo-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-amine
CID 114711827
6-bromo-N-ethyl-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713357
6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114713374
7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine
CID 114711787
6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713407
6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713547
6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 114712825
7-bromo-N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine
CID 114711803
6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine
CID 114713433
6-bromo-3'-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713502
6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713327

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine?
The IUPAC name of 6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine (CID 114713382) is 6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine.
What is the SMILES notation for 6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine?
The canonical SMILES for 6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine is CCNC1CC2(CCCSC2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine?
The InChIKey is DJQMNTWYLCRSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNOS/c1-2-17-13-9-15(6-3-7-19-10-15)18-14-5-4-11(16)8-12(13)14/h4-5,8,13,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of 6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine?
6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine has a molecular weight of 342.30 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine is sourced from PubChem (CID 114713382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).