(6R)-8-methylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C13H21N3O4S2 — CID 97373132

About (6R)-8-methylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

(6R)-8-methylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 97373132) has the molecular formula C13H21N3O4S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (6R)-8-methylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

• Compound Name: (6R)-8-methylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
• PubChem CID: 97373132
• Molecular Formula: C13H21N3O4S2
• Molecular Weight: 347.46 g/mol
• Exact Mass: 347.10
• IUPAC Name: (6R)-8-methylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
• SMILES: CS(=O)(=O)N1CCOC[C@@]2(CN(Cc3nccs3)CCO2)C1
• InChI: InChI=1S/C13H21N3O4S2/c1-22(17,18)16-4-5-19-11-13(10-16)9-15(3-6-20-13)8-12-14-2-7-21-12/h2,7H,3-6,8-11H2,1H3/t13-/m1/s1
• InChIKey: KDIYPRAQBMEBMZ-CYBMUJFWSA-N
• XLogP: 0.01
• TPSA: 71.97 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.46
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6R)-8-methylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?

The IUPAC name of (6R)-8-methylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 97373132) is (6R)-8-methylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

What is the SMILES notation for (6R)-8-methylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?

The canonical SMILES for (6R)-8-methylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is CS(=O)(=O)N1CCOC[C@@]2(CN(Cc3nccs3)CCO2)C1.

What is the InChIKey of (6R)-8-methylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?

The InChIKey is KDIYPRAQBMEBMZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21N3O4S2/c1-22(17,18)16-4-5-19-11-13(10-16)9-15(3-6-20-13)8-12-14-2-7-21-12/h2,7H,3-6,8-11H2,1H3/t13-/m1/s1.

What are the key properties of (6R)-8-methylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?

(6R)-8-methylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 347.46 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-8-methylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97373132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).