N-[3-[4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine

C34H48N6OS — CID 162718817

About N-[3-[4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine

N-[3-[4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 162718817) has the molecular formula C34H48N6OS and a molecular weight of 588.87 g/mol. Its IUPAC name is N-[3-[4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

• Compound Name: N-[3-[4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine
• PubChem CID: 162718817
• Molecular Formula: C34H48N6OS
• Molecular Weight: 588.87 g/mol
• Exact Mass: 588.36
• IUPAC Name: N-[3-[4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine
• SMILES: CCCN(CCCN1CCN(c2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)CC1)C1Cc2ccccc2C1
• InChI: InChI=1S/C34H48N6OS/c1-2-12-39(28-23-26-8-3-4-9-27(26)24-28)14-7-13-37-15-17-40(18-16-37)33-32-29-10-5-6-11-30(29)42-34(32)36-31(35-33)25-38-19-21-41-22-20-38/h3-4,8-9,28H,2,5-7,10-25H2,1H3
• InChIKey: CTPDCTPLHBQEDO-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 47.97 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.87
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine?

The IUPAC name of N-[3-[4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine (CID 162718817) is N-[3-[4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine.

What is the SMILES notation for N-[3-[4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine?

The canonical SMILES for N-[3-[4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine is CCCN(CCCN1CCN(c2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)CC1)C1Cc2ccccc2C1.

What is the InChIKey of N-[3-[4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine?

The InChIKey is CTPDCTPLHBQEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N6OS/c1-2-12-39(28-23-26-8-3-4-9-27(26)24-28)14-7-13-37-15-17-40(18-16-37)33-32-29-10-5-6-11-30(29)42-34(32)36-31(35-33)25-38-19-21-41-22-20-38/h3-4,8-9,28H,2,5-7,10-25H2,1H3.

What are the key properties of N-[3-[4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine?

N-[3-[4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 588.87 g/mol, XLogP of 4.79, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 162718817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).