6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine

C14H19NO2S — CID 114709853

IUPAC6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
SMILESCOc1ccc2c(c1)C(N)CC1(CCCSC1)O2
InChIInChI=1S/C14H19NO2S/c1-16-10-3-4-13-11(7-10)12(15)8-14(17-13)5-2-6-18-9-14/h3-4,7,12H,2,5-6,8-9,15H2,1H3
InChIKeyMBYOWRNDBTZKIS-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.74
Rot. Bonds1

About 6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine

6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine (PubChem CID 114709853) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine.

Molecular Properties

Compound Name6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
PubChem CID114709853
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
SMILESCOc1ccc2c(c1)C(N)CC1(CCCSC1)O2
InChIInChI=1S/C14H19NO2S/c1-16-10-3-4-13-11(7-10)12(15)8-14(17-13)5-2-6-18-9-14/h3-4,7,12H,2,5-6,8-9,15H2,1H3
InChIKeyMBYOWRNDBTZKIS-UHFFFAOYSA-N
XLogP2.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946934
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946767
(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946976
(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946840
(4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 104945232
(4S)-1'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946857
(4R)-3'-ethoxy-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825149
(4R)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104947047
1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114709895
(4S)-1'-cyclopropyl-6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946851
(4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 104947217
(4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130108

Frequently Asked Questions

What is the IUPAC name of 6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine?
The IUPAC name of 6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine (CID 114709853) is 6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine.
What is the SMILES notation for 6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine?
The canonical SMILES for 6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine is COc1ccc2c(c1)C(N)CC1(CCCSC1)O2.
What is the InChIKey of 6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine?
The InChIKey is MBYOWRNDBTZKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-16-10-3-4-13-11(7-10)12(15)8-14(17-13)5-2-6-18-9-14/h3-4,7,12H,2,5-6,8-9,15H2,1H3.
What are the key properties of 6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine?
6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine has a molecular weight of 265.38 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine is sourced from PubChem (CID 114709853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).