7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine

C17H25NO2S — CID 114711066

IUPAC7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
SMILESCCCNC1CC2(CCCSC2)Oc2cc(OC)ccc21
InChIInChI=1S/C17H25NO2S/c1-3-8-18-15-11-17(7-4-9-21-12-17)20-16-10-13(19-2)5-6-14(15)16/h5-6,10,15,18H,3-4,7-9,11-12H2,1-2H3
InChIKeyOTHOWWKABNIAIV-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.78
Rot. Bonds4

About 7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine

7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine (PubChem CID 114711066) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine.

Molecular Properties

Compound Name7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
PubChem CID114711066
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
SMILESCCCNC1CC2(CCCSC2)Oc2cc(OC)ccc21
InChIInChI=1S/C17H25NO2S/c1-3-8-18-15-11-17(7-4-9-21-12-17)20-16-10-13(19-2)5-6-14(15)16/h5-6,10,15,18H,3-4,7-9,11-12H2,1-2H3
InChIKeyOTHOWWKABNIAIV-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462754
7-methoxy-N-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711050
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114713119
3',6-dimethoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825146
6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 114712825
6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114709853
N-ethyl-7-methoxy-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114711027
N-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711043
7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 54401835
6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114713382
N-(6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82462781

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine?
The IUPAC name of 7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine (CID 114711066) is 7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine.
What is the SMILES notation for 7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine?
The canonical SMILES for 7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine is CCCNC1CC2(CCCSC2)Oc2cc(OC)ccc21.
What is the InChIKey of 7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine?
The InChIKey is OTHOWWKABNIAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-3-8-18-15-11-17(7-4-9-21-12-17)20-16-10-13(19-2)5-6-14(15)16/h5-6,10,15,18H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine?
7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine has a molecular weight of 307.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine is sourced from PubChem (CID 114711066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).