1-[(4R)-2-ethyl-4-(methylaminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-7-yl]-N-[(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]methanamine

C21H30N2O2S2 — CID 146569227

IUPAC1-[(4R)-2-ethyl-4-(methylaminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-7-yl]-N-[(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]methanamine
SMILESCCc1cc2c(s1)C(CNCC1OCCc3scc(C)c31)CO[C@H]2CNC
InChIInChI=1S/C21H30N2O2S2/c1-4-15-7-16-17(9-22-3)25-11-14(21(16)27-15)8-23-10-18-20-13(2)12-26-19(20)5-6-24-18/h7,12,14,17-18,22-23H,4-6,8-11H2,1-3H3/t14?,17-,18?/m0/s1
InChIKeyISKDEJZDYWGZGL-GMXGEUMGSA-N
MW406.62 g/mol
LogP3.96
Rot. Bonds7

About 1-[(4R)-2-ethyl-4-(methylaminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-7-yl]-N-[(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]methanamine

1-[(4R)-2-ethyl-4-(methylaminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-7-yl]-N-[(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]methanamine (PubChem CID 146569227) has the molecular formula C21H30N2O2S2 and a molecular weight of 406.62 g/mol. Its IUPAC name is 1-[(4R)-2-ethyl-4-(methylaminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-7-yl]-N-[(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(4R)-2-ethyl-4-(methylaminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-7-yl]-N-[(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]methanamine
PubChem CID146569227
Molecular FormulaC21H30N2O2S2
Molecular Weight406.62 g/mol
Exact Mass406.17
IUPAC Name1-[(4R)-2-ethyl-4-(methylaminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-7-yl]-N-[(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]methanamine
SMILESCCc1cc2c(s1)C(CNCC1OCCc3scc(C)c31)CO[C@H]2CNC
InChIInChI=1S/C21H30N2O2S2/c1-4-15-7-16-17(9-22-3)25-11-14(21(16)27-15)8-23-10-18-20-13(2)12-26-19(20)5-6-24-18/h7,12,14,17-18,22-23H,4-6,8-11H2,1-3H3/t14?,17-,18?/m0/s1
InChIKeyISKDEJZDYWGZGL-GMXGEUMGSA-N
XLogP3.96
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.62
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(4R)-2-ethyl-4-(methylaminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-7-yl]-N-[(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-2-ethyl-4-(methylaminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-7-yl]-N-[(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]methanamine?
The IUPAC name of 1-[(4R)-2-ethyl-4-(methylaminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-7-yl]-N-[(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]methanamine (CID 146569227) is 1-[(4R)-2-ethyl-4-(methylaminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-7-yl]-N-[(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[(4R)-2-ethyl-4-(methylaminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-7-yl]-N-[(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]methanamine?
The canonical SMILES for 1-[(4R)-2-ethyl-4-(methylaminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-7-yl]-N-[(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]methanamine is CCc1cc2c(s1)C(CNCC1OCCc3scc(C)c31)CO[C@H]2CNC.
What is the InChIKey of 1-[(4R)-2-ethyl-4-(methylaminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-7-yl]-N-[(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]methanamine?
The InChIKey is ISKDEJZDYWGZGL-GMXGEUMGSA-N. The full InChI is InChI=1S/C21H30N2O2S2/c1-4-15-7-16-17(9-22-3)25-11-14(21(16)27-15)8-23-10-18-20-13(2)12-26-19(20)5-6-24-18/h7,12,14,17-18,22-23H,4-6,8-11H2,1-3H3/t14?,17-,18?/m0/s1.
What are the key properties of 1-[(4R)-2-ethyl-4-(methylaminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-7-yl]-N-[(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]methanamine?
1-[(4R)-2-ethyl-4-(methylaminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-7-yl]-N-[(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]methanamine has a molecular weight of 406.62 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2-ethyl-4-(methylaminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-7-yl]-N-[(3-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methyl]methanamine is sourced from PubChem (CID 146569227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).