(3R,4R)-4-(2-azaspiro[5.6]dodecan-2-yl)-1,1-dioxothiolan-3-ol

C15H27NO3S — CID 97219275

IUPAC(3R,4R)-4-(2-azaspiro[5.6]dodecan-2-yl)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)C[C@H](O)[C@@H](N2CCCC3(CCCCCC3)C2)C1
InChIInChI=1S/C15H27NO3S/c17-14-11-20(18,19)10-13(14)16-9-5-8-15(12-16)6-3-1-2-4-7-15/h13-14,17H,1-12H2/t13-,14-/m0/s1
InChIKeyQDIYIPLGOZMUCA-KBPBESRZSA-N
MW301.45 g/mol
LogP1.58
Rot. Bonds1

About (3R,4R)-4-(2-azaspiro[5.6]dodecan-2-yl)-1,1-dioxothiolan-3-ol

(3R,4R)-4-(2-azaspiro[5.6]dodecan-2-yl)-1,1-dioxothiolan-3-ol (PubChem CID 97219275) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is (3R,4R)-4-(2-azaspiro[5.6]dodecan-2-yl)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(2-azaspiro[5.6]dodecan-2-yl)-1,1-dioxothiolan-3-ol
PubChem CID97219275
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Name(3R,4R)-4-(2-azaspiro[5.6]dodecan-2-yl)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)C[C@H](O)[C@@H](N2CCCC3(CCCCCC3)C2)C1
InChIInChI=1S/C15H27NO3S/c17-14-11-20(18,19)10-13(14)16-9-5-8-15(12-16)6-3-1-2-4-7-15/h13-14,17H,1-12H2/t13-,14-/m0/s1
InChIKeyQDIYIPLGOZMUCA-KBPBESRZSA-N
XLogP1.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2-azaspiro[5.6]dodecan-2-yl)-1,1-dioxothiolan-3-ol?
The IUPAC name of (3R,4R)-4-(2-azaspiro[5.6]dodecan-2-yl)-1,1-dioxothiolan-3-ol (CID 97219275) is (3R,4R)-4-(2-azaspiro[5.6]dodecan-2-yl)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3R,4R)-4-(2-azaspiro[5.6]dodecan-2-yl)-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3R,4R)-4-(2-azaspiro[5.6]dodecan-2-yl)-1,1-dioxothiolan-3-ol is O=S1(=O)C[C@H](O)[C@@H](N2CCCC3(CCCCCC3)C2)C1.
What is the InChIKey of (3R,4R)-4-(2-azaspiro[5.6]dodecan-2-yl)-1,1-dioxothiolan-3-ol?
The InChIKey is QDIYIPLGOZMUCA-KBPBESRZSA-N. The full InChI is InChI=1S/C15H27NO3S/c17-14-11-20(18,19)10-13(14)16-9-5-8-15(12-16)6-3-1-2-4-7-15/h13-14,17H,1-12H2/t13-,14-/m0/s1.
What are the key properties of (3R,4R)-4-(2-azaspiro[5.6]dodecan-2-yl)-1,1-dioxothiolan-3-ol?
(3R,4R)-4-(2-azaspiro[5.6]dodecan-2-yl)-1,1-dioxothiolan-3-ol has a molecular weight of 301.45 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(2-azaspiro[5.6]dodecan-2-yl)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 97219275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).