9-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine

C17H21N3O3S2 — CID 134071332

About 9-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine

9-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine (PubChem CID 134071332) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine.

Molecular Properties

• Compound Name: 9-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
• PubChem CID: 134071332
• Molecular Formula: C17H21N3O3S2
• Molecular Weight: 379.51 g/mol
• Exact Mass: 379.10
• IUPAC Name: 9-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine
• SMILES: O=S(=O)(c1ccccc1)N1CCCC2(CC(Nc3nccs3)CO2)C1
• InChI: InChI=1S/C17H21N3O3S2/c21-25(22,15-5-2-1-3-6-15)20-9-4-7-17(13-20)11-14(12-23-17)19-16-18-8-10-24-16/h1-3,5-6,8,10,14H,4,7,9,11-13H2,(H,18,19)
• InChIKey: YHRGYQDUNPFNJD-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.51
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine?

The IUPAC name of 9-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine (CID 134071332) is 9-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine.

What is the SMILES notation for 9-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine?

The canonical SMILES for 9-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine is O=S(=O)(c1ccccc1)N1CCCC2(CC(Nc3nccs3)CO2)C1.

What is the InChIKey of 9-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine?

The InChIKey is YHRGYQDUNPFNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c21-25(22,15-5-2-1-3-6-15)20-9-4-7-17(13-20)11-14(12-23-17)19-16-18-8-10-24-16/h1-3,5-6,8,10,14H,4,7,9,11-13H2,(H,18,19).

What are the key properties of 9-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine?

9-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine has a molecular weight of 379.51 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)-1-oxa-9-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 134071332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).