2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,2'-cyclopropane]-1'-amine

C11H15NOS — CID 163415425

IUPAC2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,2'-cyclopropane]-1'-amine
SMILESCCc1cc2c(s1)CCOC21CC1N
InChIInChI=1S/C11H15NOS/c1-2-7-5-8-9(14-7)3-4-13-11(8)6-10(11)12/h5,10H,2-4,6,12H2,1H3
InChIKeyADYVGUZGHJOPRQ-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.81
Rot. Bonds1

About 2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,2'-cyclopropane]-1'-amine

2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,2'-cyclopropane]-1'-amine (PubChem CID 163415425) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound Name2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,2'-cyclopropane]-1'-amine
PubChem CID163415425
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,2'-cyclopropane]-1'-amine
SMILESCCc1cc2c(s1)CCOC21CC1N
InChIInChI=1S/C11H15NOS/c1-2-7-5-8-9(14-7)3-4-13-11(8)6-10(11)12/h5,10H,2-4,6,12H2,1H3
InChIKeyADYVGUZGHJOPRQ-UHFFFAOYSA-N
XLogP1.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,2'-cyclopropane]-1'-amine?
The IUPAC name of 2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,2'-cyclopropane]-1'-amine (CID 163415425) is 2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,2'-cyclopropane]-1'-amine.
What is the SMILES notation for 2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,2'-cyclopropane]-1'-amine?
The canonical SMILES for 2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,2'-cyclopropane]-1'-amine is CCc1cc2c(s1)CCOC21CC1N.
What is the InChIKey of 2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,2'-cyclopropane]-1'-amine?
The InChIKey is ADYVGUZGHJOPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-2-7-5-8-9(14-7)3-4-13-11(8)6-10(11)12/h5,10H,2-4,6,12H2,1H3.
What are the key properties of 2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,2'-cyclopropane]-1'-amine?
2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,2'-cyclopropane]-1'-amine has a molecular weight of 209.31 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 163415425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).