4,4,8-trimethyl-2-phenyl-1,6-dithia-3-azaspiro[4.4]non-2-ene

C15H19NS2 — CID 14908788

IUPAC4,4,8-trimethyl-2-phenyl-1,6-dithia-3-azaspiro[4.4]non-2-ene
SMILESCC1CSC2(C1)SC(c1ccccc1)=NC2(C)C
InChIInChI=1S/C15H19NS2/c1-11-9-15(17-10-11)14(2,3)16-13(18-15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyHATRXMJRAJGXAZ-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.43
Rot. Bonds1

About 4,4,8-trimethyl-2-phenyl-1,6-dithia-3-azaspiro[4.4]non-2-ene

4,4,8-trimethyl-2-phenyl-1,6-dithia-3-azaspiro[4.4]non-2-ene (PubChem CID 14908788) has the molecular formula C15H19NS2 and a molecular weight of 277.46 g/mol. Its IUPAC name is 4,4,8-trimethyl-2-phenyl-1,6-dithia-3-azaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name4,4,8-trimethyl-2-phenyl-1,6-dithia-3-azaspiro[4.4]non-2-ene
PubChem CID14908788
Molecular FormulaC15H19NS2
Molecular Weight277.46 g/mol
Exact Mass277.10
IUPAC Name4,4,8-trimethyl-2-phenyl-1,6-dithia-3-azaspiro[4.4]non-2-ene
SMILESCC1CSC2(C1)SC(c1ccccc1)=NC2(C)C
InChIInChI=1S/C15H19NS2/c1-11-9-15(17-10-11)14(2,3)16-13(18-15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyHATRXMJRAJGXAZ-UHFFFAOYSA-N
XLogP4.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2,7-diphenyl-6-oxa-1,9-dithia-3-azaspiro[4.4]nona-2,7-diene
CID 10947783
4-(bromomethyl)-4-methyl-2-phenyl-5H-1,3-thiazole
CID 102236722
(1R,3S,7S,9R)-15-phenyl-2-oxa-8,16-dithia-14-azatetracyclo[7.4.3.01,9.03,7]hexadec-14-ene
CID 15418860
(4S)-4-(2-bromopropan-2-yl)-2-phenyl-4,5-dihydro-1,3-thiazole
CID 125491532
(4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
CID 11747856
(4S)-4-ethyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
CID 139069527
[(4R)-2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl]methanamine
CID 97305172
2-methyl-2,3-diphenylazirine
CID 13307627
(3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole
CID 134916558
3a,7a-dimethyl-2-(4-methylphenyl)-1,3-benzothiazole
CID 71090967
ethyl (4S)-4-methyl-2-phenyl-5H-1,3-thiazole-4-carboxylate
CID 11831819
2-methyl-5-phenyl-2-propyl-3H-1,3,4-thiadiazole
CID 4084826

Frequently Asked Questions

What is the IUPAC name of 4,4,8-trimethyl-2-phenyl-1,6-dithia-3-azaspiro[4.4]non-2-ene?
The IUPAC name of 4,4,8-trimethyl-2-phenyl-1,6-dithia-3-azaspiro[4.4]non-2-ene (CID 14908788) is 4,4,8-trimethyl-2-phenyl-1,6-dithia-3-azaspiro[4.4]non-2-ene.
What is the SMILES notation for 4,4,8-trimethyl-2-phenyl-1,6-dithia-3-azaspiro[4.4]non-2-ene?
The canonical SMILES for 4,4,8-trimethyl-2-phenyl-1,6-dithia-3-azaspiro[4.4]non-2-ene is CC1CSC2(C1)SC(c1ccccc1)=NC2(C)C.
What is the InChIKey of 4,4,8-trimethyl-2-phenyl-1,6-dithia-3-azaspiro[4.4]non-2-ene?
The InChIKey is HATRXMJRAJGXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS2/c1-11-9-15(17-10-11)14(2,3)16-13(18-15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 4,4,8-trimethyl-2-phenyl-1,6-dithia-3-azaspiro[4.4]non-2-ene?
4,4,8-trimethyl-2-phenyl-1,6-dithia-3-azaspiro[4.4]non-2-ene has a molecular weight of 277.46 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8-trimethyl-2-phenyl-1,6-dithia-3-azaspiro[4.4]non-2-ene is sourced from PubChem (CID 14908788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).