N-butyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide

C19H28N2O2S — CID 53184684

IUPACN-butyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCCCNC(=O)C1CN(C(=O)c2cccs2)CC12CCCCC2
InChIInChI=1S/C19H28N2O2S/c1-2-3-11-20-17(22)15-13-21(18(23)16-8-7-12-24-16)14-19(15)9-5-4-6-10-19/h7-8,12,15H,2-6,9-11,13-14H2,1H3,(H,20,22)
InChIKeyOCZJIHZFXAUCBX-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.69
Rot. Bonds5

About N-butyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide

N-butyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53184684) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-butyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53184684
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-butyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCCCNC(=O)C1CN(C(=O)c2cccs2)CC12CCCCC2
InChIInChI=1S/C19H28N2O2S/c1-2-3-11-20-17(22)15-13-21(18(23)16-8-7-12-24-16)14-19(15)9-5-4-6-10-19/h7-8,12,15H,2-6,9-11,13-14H2,1H3,(H,20,22)
InChIKeyOCZJIHZFXAUCBX-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-butyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (CID 53184684) is N-butyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-butyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-butyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is CCCCNC(=O)C1CN(C(=O)c2cccs2)CC12CCCCC2.
What is the InChIKey of N-butyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is OCZJIHZFXAUCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-2-3-11-20-17(22)15-13-21(18(23)16-8-7-12-24-16)14-19(15)9-5-4-6-10-19/h7-8,12,15H,2-6,9-11,13-14H2,1H3,(H,20,22).
What are the key properties of N-butyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
N-butyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53184684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).