1-(4,4-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine

C11H17NOS — CID 167437559

IUPAC1-(4,4-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine
SMILESCNCC1OCC(C)(C)c2ccsc21
InChIInChI=1S/C11H17NOS/c1-11(2)7-13-9(6-12-3)10-8(11)4-5-14-10/h4-5,9,12H,6-7H2,1-3H3
InChIKeyWKTGVSVYZJJOAK-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.32
Rot. Bonds2

About 1-(4,4-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine

1-(4,4-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine (PubChem CID 167437559) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,4-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine
PubChem CID167437559
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-(4,4-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine
SMILESCNCC1OCC(C)(C)c2ccsc21
InChIInChI=1S/C11H17NOS/c1-11(2)7-13-9(6-12-3)10-8(11)4-5-14-10/h4-5,9,12H,6-7H2,1-3H3
InChIKeyWKTGVSVYZJJOAK-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine?
The IUPAC name of 1-(4,4-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine (CID 167437559) is 1-(4,4-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,4-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4,4-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine is CNCC1OCC(C)(C)c2ccsc21.
What is the InChIKey of 1-(4,4-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine?
The InChIKey is WKTGVSVYZJJOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-11(2)7-13-9(6-12-3)10-8(11)4-5-14-10/h4-5,9,12H,6-7H2,1-3H3.
What are the key properties of 1-(4,4-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine?
1-(4,4-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine has a molecular weight of 211.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine is sourced from PubChem (CID 167437559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).