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

C15H25N3O2S — CID 97372988

IUPAC(6R)-8-propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCC(C)N1CCOC[C@@]2(CN(Cc3nccs3)CCO2)C1
InChIInChI=1S/C15H25N3O2S/c1-13(2)18-5-6-19-12-15(11-18)10-17(4-7-20-15)9-14-16-3-8-21-14/h3,8,13H,4-7,9-12H2,1-2H3/t15-/m1/s1
InChIKeyJIAKYBCCBCEFBJ-OAHLLOKOSA-N
MW311.45 g/mol
LogP1.45
Rot. Bonds3

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

(6R)-8-propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 97372988) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is (6R)-8-propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6R)-8-propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID97372988
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name(6R)-8-propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCC(C)N1CCOC[C@@]2(CN(Cc3nccs3)CCO2)C1
InChIInChI=1S/C15H25N3O2S/c1-13(2)18-5-6-19-12-15(11-18)10-17(4-7-20-15)9-14-16-3-8-21-14/h3,8,13H,4-7,9-12H2,1-2H3/t15-/m1/s1
InChIKeyJIAKYBCCBCEFBJ-OAHLLOKOSA-N
XLogP1.45
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6R)-8-propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-8-propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of (6R)-8-propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 97372988) is (6R)-8-propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6R)-8-propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for (6R)-8-propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is CC(C)N1CCOC[C@@]2(CN(Cc3nccs3)CCO2)C1.
What is the InChIKey of (6R)-8-propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is JIAKYBCCBCEFBJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-13(2)18-5-6-19-12-15(11-18)10-17(4-7-20-15)9-14-16-3-8-21-14/h3,8,13H,4-7,9-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (6R)-8-propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
(6R)-8-propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 311.45 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97372988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).