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

C19H28N2O2S — CID 53184683

IUPACN-(2-methylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)CNC(=O)C1CN(C(=O)c2cccs2)CC12CCCCC2
InChIInChI=1S/C19H28N2O2S/c1-14(2)11-20-17(22)15-12-21(18(23)16-7-6-10-24-16)13-19(15)8-4-3-5-9-19/h6-7,10,14-15H,3-5,8-9,11-13H2,1-2H3,(H,20,22)
InChIKeyBFNMZZWYLVSUBE-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.54
Rot. Bonds4

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

N-(2-methylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53184683) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53184683
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-(2-methylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)CNC(=O)C1CN(C(=O)c2cccs2)CC12CCCCC2
InChIInChI=1S/C19H28N2O2S/c1-14(2)11-20-17(22)15-12-21(18(23)16-7-6-10-24-16)13-19(15)8-4-3-5-9-19/h6-7,10,14-15H,3-5,8-9,11-13H2,1-2H3,(H,20,22)
InChIKeyBFNMZZWYLVSUBE-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (CID 53184683) is N-(2-methylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is CC(C)CNC(=O)C1CN(C(=O)c2cccs2)CC12CCCCC2.
What is the InChIKey of N-(2-methylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is BFNMZZWYLVSUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-14(2)11-20-17(22)15-12-21(18(23)16-7-6-10-24-16)13-19(15)8-4-3-5-9-19/h6-7,10,14-15H,3-5,8-9,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-(2-methylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
N-(2-methylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53184683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).