2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide

C18H29N3OS2 — CID 98794620

About 2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide

2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide (PubChem CID 98794620) has the molecular formula C18H29N3OS2 and a molecular weight of 367.58 g/mol. Its IUPAC name is 2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
• PubChem CID: 98794620
• Molecular Formula: C18H29N3OS2
• Molecular Weight: 367.58 g/mol
• Exact Mass: 367.18
• IUPAC Name: 2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
• SMILES: CN(CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1CCSC1
• InChI: InChI=1S/C18H29N3OS2/c1-20(16-6-9-23-14-16)13-18(22)19-10-15-4-2-7-21(11-15)12-17-5-3-8-24-17/h3,5,8,15-16H,2,4,6-7,9-14H2,1H3,(H,19,22)/t15-,16-/m0/s1
• InChIKey: SYHVNWRHBHYFLL-HOTGVXAUSA-N
• XLogP: 2.51
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.58
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide?

The IUPAC name of 2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide (CID 98794620) is 2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide.

What is the SMILES notation for 2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide?

The canonical SMILES for 2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide is CN(CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1CCSC1.

What is the InChIKey of 2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide?

The InChIKey is SYHVNWRHBHYFLL-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H29N3OS2/c1-20(16-6-9-23-14-16)13-18(22)19-10-15-4-2-7-21(11-15)12-17-5-3-8-24-17/h3,5,8,15-16H,2,4,6-7,9-14H2,1H3,(H,19,22)/t15-,16-/m0/s1.

What are the key properties of 2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide?

2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide has a molecular weight of 367.58 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[(3S)-thiolan-3-yl]amino]-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 98794620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).