N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylthiophene-2-carboxamide

C20H28N2O2S — CID 155506452

About N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylthiophene-2-carboxamide

N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylthiophene-2-carboxamide (PubChem CID 155506452) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylthiophene-2-carboxamide
• PubChem CID: 155506452
• Molecular Formula: C20H28N2O2S
• Molecular Weight: 360.52 g/mol
• Exact Mass: 360.19
• IUPAC Name: N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylthiophene-2-carboxamide
• SMILES: Cc1ccsc1C(=O)NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3
• InChI: InChI=1S/C20H28N2O2S/c1-13-7-9-25-18(13)19(23)21-10-15-16-11-22(14-4-2-3-5-14)12-20(16)8-6-17(15)24-20/h7,9,14-17H,2-6,8,10-12H2,1H3,(H,21,23)/t15-,16+,17+,20+/m0/s1
• InChIKey: FBNYAWSZQSQKKM-TVKQPGBESA-N
• XLogP: 3.21
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.52
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylthiophene-2-carboxamide?

The IUPAC name of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylthiophene-2-carboxamide (CID 155506452) is N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylthiophene-2-carboxamide.

What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylthiophene-2-carboxamide?

The canonical SMILES for N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3.

What is the InChIKey of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylthiophene-2-carboxamide?

The InChIKey is FBNYAWSZQSQKKM-TVKQPGBESA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-13-7-9-25-18(13)19(23)21-10-15-16-11-22(14-4-2-3-5-14)12-20(16)8-6-17(15)24-20/h7,9,14-17H,2-6,8,10-12H2,1H3,(H,21,23)/t15-,16+,17+,20+/m0/s1.

What are the key properties of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylthiophene-2-carboxamide?

N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 360.52 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 155506452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).