5,5,7,7-tetramethylspiro[6,7a-dihydropyrrolo[1,2-b][1,4,2]oxathiazole-2,2'-adamantane]

C18H29NOS — CID 101286008

IUPAC5,5,7,7-tetramethylspiro[6,7a-dihydropyrrolo[1,2-b][1,4,2]oxathiazole-2,2'-adamantane]
SMILESCC1(C)CC(C)(C)N2OC3(SC21)C1CC2CC(C1)CC3C2
InChIInChI=1S/C18H29NOS/c1-16(2)10-17(3,4)19-15(16)21-18(20-19)13-6-11-5-12(8-13)9-14(18)7-11/h11-15H,5-10H2,1-4H3
InChIKeyMWYLWVGTATWLEG-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.65
Rot. Bonds

About 5,5,7,7-tetramethylspiro[6,7a-dihydropyrrolo[1,2-b][1,4,2]oxathiazole-2,2'-adamantane]

5,5,7,7-tetramethylspiro[6,7a-dihydropyrrolo[1,2-b][1,4,2]oxathiazole-2,2'-adamantane] (PubChem CID 101286008) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is 5,5,7,7-tetramethylspiro[6,7a-dihydropyrrolo[1,2-b][1,4,2]oxathiazole-2,2'-adamantane].

Molecular Properties

Compound Name5,5,7,7-tetramethylspiro[6,7a-dihydropyrrolo[1,2-b][1,4,2]oxathiazole-2,2'-adamantane]
PubChem CID101286008
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name5,5,7,7-tetramethylspiro[6,7a-dihydropyrrolo[1,2-b][1,4,2]oxathiazole-2,2'-adamantane]
SMILESCC1(C)CC(C)(C)N2OC3(SC21)C1CC2CC(C1)CC3C2
InChIInChI=1S/C18H29NOS/c1-16(2)10-17(3,4)19-15(16)21-18(20-19)13-6-11-5-12(8-13)9-14(18)7-11/h11-15H,5-10H2,1-4H3
InChIKeyMWYLWVGTATWLEG-UHFFFAOYSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5,7,7-tetramethylspiro[6,7a-dihydropyrrolo[1,2-b][1,4,2]oxathiazole-2,2'-adamantane]?
The IUPAC name of 5,5,7,7-tetramethylspiro[6,7a-dihydropyrrolo[1,2-b][1,4,2]oxathiazole-2,2'-adamantane] (CID 101286008) is 5,5,7,7-tetramethylspiro[6,7a-dihydropyrrolo[1,2-b][1,4,2]oxathiazole-2,2'-adamantane].
What is the SMILES notation for 5,5,7,7-tetramethylspiro[6,7a-dihydropyrrolo[1,2-b][1,4,2]oxathiazole-2,2'-adamantane]?
The canonical SMILES for 5,5,7,7-tetramethylspiro[6,7a-dihydropyrrolo[1,2-b][1,4,2]oxathiazole-2,2'-adamantane] is CC1(C)CC(C)(C)N2OC3(SC21)C1CC2CC(C1)CC3C2.
What is the InChIKey of 5,5,7,7-tetramethylspiro[6,7a-dihydropyrrolo[1,2-b][1,4,2]oxathiazole-2,2'-adamantane]?
The InChIKey is MWYLWVGTATWLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-16(2)10-17(3,4)19-15(16)21-18(20-19)13-6-11-5-12(8-13)9-14(18)7-11/h11-15H,5-10H2,1-4H3.
What are the key properties of 5,5,7,7-tetramethylspiro[6,7a-dihydropyrrolo[1,2-b][1,4,2]oxathiazole-2,2'-adamantane]?
5,5,7,7-tetramethylspiro[6,7a-dihydropyrrolo[1,2-b][1,4,2]oxathiazole-2,2'-adamantane] has a molecular weight of 307.50 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,7-tetramethylspiro[6,7a-dihydropyrrolo[1,2-b][1,4,2]oxathiazole-2,2'-adamantane] is sourced from PubChem (CID 101286008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).