(5S)-5-methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one

C13H19NOS — CID 767000

IUPAC(5S)-5-methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one
SMILESC[C@@H]1SC2(NC1=O)C1CC3CC(C1)CC2C3
InChIInChI=1S/C13H19NOS/c1-7-12(15)14-13(16-7)10-3-8-2-9(5-10)6-11(13)4-8/h7-11H,2-6H2,1H3,(H,14,15)/t7-,8?,9?,10?,11?,13?/m0/s1
InChIKeyGJBVZWMAFHSDEV-UJPKHONOSA-N
MW237.37 g/mol
LogP2.39
Rot. Bonds

About (5S)-5-methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one

(5S)-5-methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one (PubChem CID 767000) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is (5S)-5-methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one.

Molecular Properties

Compound Name(5S)-5-methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one
PubChem CID767000
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name(5S)-5-methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one
SMILESC[C@@H]1SC2(NC1=O)C1CC3CC(C1)CC2C3
InChIInChI=1S/C13H19NOS/c1-7-12(15)14-13(16-7)10-3-8-2-9(5-10)6-11(13)4-8/h7-11H,2-6H2,1H3,(H,14,15)/t7-,8?,9?,10?,11?,13?/m0/s1
InChIKeyGJBVZWMAFHSDEV-UJPKHONOSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one?
The IUPAC name of (5S)-5-methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one (CID 767000) is (5S)-5-methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one.
What is the SMILES notation for (5S)-5-methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one?
The canonical SMILES for (5S)-5-methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one is C[C@@H]1SC2(NC1=O)C1CC3CC(C1)CC2C3.
What is the InChIKey of (5S)-5-methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one?
The InChIKey is GJBVZWMAFHSDEV-UJPKHONOSA-N. The full InChI is InChI=1S/C13H19NOS/c1-7-12(15)14-13(16-7)10-3-8-2-9(5-10)6-11(13)4-8/h7-11H,2-6H2,1H3,(H,14,15)/t7-,8?,9?,10?,11?,13?/m0/s1.
What are the key properties of (5S)-5-methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one?
(5S)-5-methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one has a molecular weight of 237.37 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methylspiro[1,3-thiazolidine-2,2'-adamantane]-4-one is sourced from PubChem (CID 767000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).