(5S)-7-(2,2-dimethylpropyl)-2-(3-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C19H28N2O2S — CID 42122119

IUPAC(5S)-7-(2,2-dimethylpropyl)-2-(3-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ccsc1C(=O)N1CC[C@@]2(CCCN(CC(C)(C)C)C2=O)C1
InChIInChI=1S/C19H28N2O2S/c1-14-6-11-24-15(14)16(22)20-10-8-19(13-20)7-5-9-21(17(19)23)12-18(2,3)4/h6,11H,5,7-10,12-13H2,1-4H3/t19-/m0/s1
InChIKeyCPXJCYOCYIFDPQ-IBGZPJMESA-N
MW348.51 g/mol
LogP3.56
Rot. Bonds2

About (5S)-7-(2,2-dimethylpropyl)-2-(3-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(2,2-dimethylpropyl)-2-(3-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42122119) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is (5S)-7-(2,2-dimethylpropyl)-2-(3-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(2,2-dimethylpropyl)-2-(3-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42122119
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name(5S)-7-(2,2-dimethylpropyl)-2-(3-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ccsc1C(=O)N1CC[C@@]2(CCCN(CC(C)(C)C)C2=O)C1
InChIInChI=1S/C19H28N2O2S/c1-14-6-11-24-15(14)16(22)20-10-8-19(13-20)7-5-9-21(17(19)23)12-18(2,3)4/h6,11H,5,7-10,12-13H2,1-4H3/t19-/m0/s1
InChIKeyCPXJCYOCYIFDPQ-IBGZPJMESA-N
XLogP3.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(2,2-dimethylpropyl)-2-(3-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(2,2-dimethylpropyl)-2-(3-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 42122119) is (5S)-7-(2,2-dimethylpropyl)-2-(3-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(2,2-dimethylpropyl)-2-(3-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(2,2-dimethylpropyl)-2-(3-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1ccsc1C(=O)N1CC[C@@]2(CCCN(CC(C)(C)C)C2=O)C1.
What is the InChIKey of (5S)-7-(2,2-dimethylpropyl)-2-(3-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is CPXJCYOCYIFDPQ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-14-6-11-24-15(14)16(22)20-10-8-19(13-20)7-5-9-21(17(19)23)12-18(2,3)4/h6,11H,5,7-10,12-13H2,1-4H3/t19-/m0/s1.
What are the key properties of (5S)-7-(2,2-dimethylpropyl)-2-(3-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(2,2-dimethylpropyl)-2-(3-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 348.51 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(2,2-dimethylpropyl)-2-(3-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42122119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).