7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine

C17H24BrNOS — CID 114711787

IUPAC7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine
SMILESCCNC1CC2(CSCC(C)(C)C2)Oc2cc(Br)ccc21
InChIInChI=1S/C17H24BrNOS/c1-4-19-14-8-17(9-16(2,3)10-21-11-17)20-15-7-12(18)5-6-13(14)15/h5-7,14,19H,4,8-11H2,1-3H3
InChIKeySGSOENDDXGXRCQ-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.78
Rot. Bonds2

About 7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine

7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine (PubChem CID 114711787) has the molecular formula C17H24BrNOS and a molecular weight of 370.36 g/mol. Its IUPAC name is 7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine.

Molecular Properties

Compound Name7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine
PubChem CID114711787
Molecular FormulaC17H24BrNOS
Molecular Weight370.36 g/mol
Exact Mass369.08
IUPAC Name7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine
SMILESCCNC1CC2(CSCC(C)(C)C2)Oc2cc(Br)ccc21
InChIInChI=1S/C17H24BrNOS/c1-4-19-14-8-17(9-16(2,3)10-21-11-17)20-15-7-12(18)5-6-13(14)15/h5-7,14,19H,4,8-11H2,1-3H3
InChIKeySGSOENDDXGXRCQ-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine?
The IUPAC name of 7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine (CID 114711787) is 7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine.
What is the SMILES notation for 7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine?
The canonical SMILES for 7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine is CCNC1CC2(CSCC(C)(C)C2)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine?
The InChIKey is SGSOENDDXGXRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNOS/c1-4-19-14-8-17(9-16(2,3)10-21-11-17)20-15-7-12(18)5-6-13(14)15/h5-7,14,19H,4,8-11H2,1-3H3.
What are the key properties of 7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine?
7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine has a molecular weight of 370.36 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine is sourced from PubChem (CID 114711787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).