[2-(4-ethyl-5-methylthiophene-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-spiro[2.3]hexan-2-ylmethanone

C20H26N2O2S — CID 154856123

IUPAC[2-(4-ethyl-5-methylthiophene-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-spiro[2.3]hexan-2-ylmethanone
SMILESCCc1c(C(=O)N2CC3(C2)CN(C(=O)C2CC24CCC4)C3)csc1C
InChIInChI=1S/C20H26N2O2S/c1-3-14-13(2)25-8-15(14)17(23)21-9-19(10-21)11-22(12-19)18(24)16-7-20(16)5-4-6-20/h8,16H,3-7,9-12H2,1-2H3
InChIKeyIPJQPUUDMZFDTC-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.09
Rot. Bonds3

About [2-(4-ethyl-5-methylthiophene-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-spiro[2.3]hexan-2-ylmethanone

[2-(4-ethyl-5-methylthiophene-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-spiro[2.3]hexan-2-ylmethanone (PubChem CID 154856123) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is [2-(4-ethyl-5-methylthiophene-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-spiro[2.3]hexan-2-ylmethanone.

Molecular Properties

Compound Name[2-(4-ethyl-5-methylthiophene-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-spiro[2.3]hexan-2-ylmethanone
PubChem CID154856123
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name[2-(4-ethyl-5-methylthiophene-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-spiro[2.3]hexan-2-ylmethanone
SMILESCCc1c(C(=O)N2CC3(C2)CN(C(=O)C2CC24CCC4)C3)csc1C
InChIInChI=1S/C20H26N2O2S/c1-3-14-13(2)25-8-15(14)17(23)21-9-19(10-21)11-22(12-19)18(24)16-7-20(16)5-4-6-20/h8,16H,3-7,9-12H2,1-2H3
InChIKeyIPJQPUUDMZFDTC-UHFFFAOYSA-N
XLogP3.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethyl-5-methylthiophene-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-spiro[2.3]hexan-2-ylmethanone?
The IUPAC name of [2-(4-ethyl-5-methylthiophene-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-spiro[2.3]hexan-2-ylmethanone (CID 154856123) is [2-(4-ethyl-5-methylthiophene-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-spiro[2.3]hexan-2-ylmethanone.
What is the SMILES notation for [2-(4-ethyl-5-methylthiophene-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-spiro[2.3]hexan-2-ylmethanone?
The canonical SMILES for [2-(4-ethyl-5-methylthiophene-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-spiro[2.3]hexan-2-ylmethanone is CCc1c(C(=O)N2CC3(C2)CN(C(=O)C2CC24CCC4)C3)csc1C.
What is the InChIKey of [2-(4-ethyl-5-methylthiophene-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-spiro[2.3]hexan-2-ylmethanone?
The InChIKey is IPJQPUUDMZFDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-3-14-13(2)25-8-15(14)17(23)21-9-19(10-21)11-22(12-19)18(24)16-7-20(16)5-4-6-20/h8,16H,3-7,9-12H2,1-2H3.
What are the key properties of [2-(4-ethyl-5-methylthiophene-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-spiro[2.3]hexan-2-ylmethanone?
[2-(4-ethyl-5-methylthiophene-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-spiro[2.3]hexan-2-ylmethanone has a molecular weight of 358.51 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethyl-5-methylthiophene-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-spiro[2.3]hexan-2-ylmethanone is sourced from PubChem (CID 154856123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).