spiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol

C12H19NOS — CID 2835846

IUPACspiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol
SMILESOC12CC3CC(C1)C1(NCCS1)C(C3)C2
InChIInChI=1S/C12H19NOS/c14-11-5-8-3-9(6-11)12(10(4-8)7-11)13-1-2-15-12/h8-10,13-14H,1-7H2
InChIKeyCVRGPYJEPQFMMH-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.59
Rot. Bonds

About spiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol

spiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol (PubChem CID 2835846) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is spiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol.

Molecular Properties

Compound Namespiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol
PubChem CID2835846
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Namespiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol
SMILESOC12CC3CC(C1)C1(NCCS1)C(C3)C2
InChIInChI=1S/C12H19NOS/c14-11-5-8-3-9(6-11)12(10(4-8)7-11)13-1-2-15-12/h8-10,13-14H,1-7H2
InChIKeyCVRGPYJEPQFMMH-UHFFFAOYSA-N
XLogP1.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol?
The IUPAC name of spiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol (CID 2835846) is spiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol.
What is the SMILES notation for spiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol?
The canonical SMILES for spiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol is OC12CC3CC(C1)C1(NCCS1)C(C3)C2.
What is the InChIKey of spiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol?
The InChIKey is CVRGPYJEPQFMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c14-11-5-8-3-9(6-11)12(10(4-8)7-11)13-1-2-15-12/h8-10,13-14H,1-7H2.
What are the key properties of spiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol?
spiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol has a molecular weight of 225.36 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-thiazolidine-2,4'-adamantane]-1'-ol is sourced from PubChem (CID 2835846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).