1-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-6-yl)-N,N-dimethylmethanamine

C10H15NS2 — CID 15615027

IUPAC1-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-6-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CCc2ccsc2S1
InChIInChI=1S/C10H15NS2/c1-11(2)7-9-4-3-8-5-6-12-10(8)13-9/h5-6,9H,3-4,7H2,1-2H3
InChIKeyIOHTUMAAZDBGNF-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.72
Rot. Bonds2

About 1-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-6-yl)-N,N-dimethylmethanamine

1-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-6-yl)-N,N-dimethylmethanamine (PubChem CID 15615027) has the molecular formula C10H15NS2 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-6-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-6-yl)-N,N-dimethylmethanamine
PubChem CID15615027
Molecular FormulaC10H15NS2
Molecular Weight213.37 g/mol
Exact Mass213.06
IUPAC Name1-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-6-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CCc2ccsc2S1
InChIInChI=1S/C10H15NS2/c1-11(2)7-9-4-3-8-5-6-12-10(8)13-9/h5-6,9H,3-4,7H2,1-2H3
InChIKeyIOHTUMAAZDBGNF-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-6-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-6-yl)-N,N-dimethylmethanamine (CID 15615027) is 1-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-6-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-6-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-6-yl)-N,N-dimethylmethanamine is CN(C)CC1CCc2ccsc2S1.
What is the InChIKey of 1-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-6-yl)-N,N-dimethylmethanamine?
The InChIKey is IOHTUMAAZDBGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS2/c1-11(2)7-9-4-3-8-5-6-12-10(8)13-9/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of 1-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-6-yl)-N,N-dimethylmethanamine?
1-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-6-yl)-N,N-dimethylmethanamine has a molecular weight of 213.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-6-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 15615027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).