8-tert-butyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene

C17H24N2S — CID 4692618

IUPAC8-tert-butyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene
SMILESCC(C)(C)C1CCC2(CC1)NN=C(c1ccccc1)S2
InChIInChI=1S/C17H24N2S/c1-16(2,3)14-9-11-17(12-10-14)19-18-15(20-17)13-7-5-4-6-8-13/h4-8,14,19H,9-12H2,1-3H3
InChIKeyRLTBRKDIPUMMHP-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.62
Rot. Bonds1

About 8-tert-butyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene

8-tert-butyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene (PubChem CID 4692618) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 8-tert-butyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-tert-butyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene
PubChem CID4692618
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name8-tert-butyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene
SMILESCC(C)(C)C1CCC2(CC1)NN=C(c1ccccc1)S2
InChIInChI=1S/C17H24N2S/c1-16(2,3)14-9-11-17(12-10-14)19-18-15(20-17)13-7-5-4-6-8-13/h4-8,14,19H,9-12H2,1-3H3
InChIKeyRLTBRKDIPUMMHP-UHFFFAOYSA-N
XLogP4.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 827961
3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.11]hexadec-2-ene
CID 2715933
2-Phenyl-1-thia-3,4-diazaspiro[4.7]dodec-2-ene
CID 1737556
3-(4-Methylphenyl)-4-thia-1,2-diazaspiro[4.7]dodec-2-ene
CID 1821769
5-Phenylspiro[1,3,4-thiadiazoline-2,2'-adamantane]
CID 2258183
2-(4-Methylphenyl)-1-thia-3,4-diazaspiro[4.5]dec-2-ene
CID 2293631
2-(4-Cyclohexylphenyl)-2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 2860978
2-Cyclopropyl-2-methyl-5-phenyl-1,3,4-thiadiazoline
CID 2861263
2-(4-Cyclohexylphenyl)-2-methyl-5-(4-methylphenyl)-1,3,4-thiadiazoline
CID 3813759
8-Ethyl-3-(4-methylphenyl)-4-thia-1,2-diazaspiro[4.5]dec-2-ene
CID 4268763
4-Thia-1,2-diazaspiro[4.5]dec-2-ene, 3-phenyl-
CID 3136572
2-(Tert-butyl)-2-methyl-5-phenyl-1,3,4-thiadiazoline
CID 4121331

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-tert-butyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene (CID 4692618) is 8-tert-butyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-tert-butyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-tert-butyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene is CC(C)(C)C1CCC2(CC1)NN=C(c1ccccc1)S2.
What is the InChIKey of 8-tert-butyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene?
The InChIKey is RLTBRKDIPUMMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-16(2,3)14-9-11-17(12-10-14)19-18-15(20-17)13-7-5-4-6-8-13/h4-8,14,19H,9-12H2,1-3H3.
What are the key properties of 8-tert-butyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene?
8-tert-butyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene has a molecular weight of 288.46 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-phenyl-1-thia-3,4-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 4692618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).