1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide

C20H25N3O3S2 — CID 43049397

About 1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide

1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide (PubChem CID 43049397) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
• PubChem CID: 43049397
• Molecular Formula: C20H25N3O3S2
• Molecular Weight: 419.57 g/mol
• Exact Mass: 419.13
• IUPAC Name: 1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
• SMILES: CS(=O)(=O)N1CCCCC1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1
• InChI: InChI=1S/C20H25N3O3S2/c1-28(25,26)23-11-5-4-8-18(23)19(24)22-20-21-17(13-27-20)16-10-9-14-6-2-3-7-15(14)12-16/h9-10,12-13,18H,2-8,11H2,1H3,(H,21,22,24)
• InChIKey: RJWFOTHYJVJOLZ-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.57
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?

The IUPAC name of 1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide (CID 43049397) is 1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide.

What is the SMILES notation for 1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?

The canonical SMILES for 1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide is CS(=O)(=O)N1CCCCC1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1.

What is the InChIKey of 1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?

The InChIKey is RJWFOTHYJVJOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c1-28(25,26)23-11-5-4-8-18(23)19(24)22-20-21-17(13-27-20)16-10-9-14-6-2-3-7-15(14)12-16/h9-10,12-13,18H,2-8,11H2,1H3,(H,21,22,24).

What are the key properties of 1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?

1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 43049397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).