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

C17H24N2O2S — CID 53184656

IUPACN,N-dimethyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCN(C)C(=O)C1CN(C(=O)c2cccs2)CC12CCCCC2
InChIInChI=1S/C17H24N2O2S/c1-18(2)15(20)13-11-19(16(21)14-7-6-10-22-14)12-17(13)8-4-3-5-9-17/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3
InChIKeyVXBVPAIPRJFQBI-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.86
Rot. Bonds2

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

N,N-dimethyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53184656) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N,N-dimethyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53184656
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN,N-dimethyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCN(C)C(=O)C1CN(C(=O)c2cccs2)CC12CCCCC2
InChIInChI=1S/C17H24N2O2S/c1-18(2)15(20)13-11-19(16(21)14-7-6-10-22-14)12-17(13)8-4-3-5-9-17/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3
InChIKeyVXBVPAIPRJFQBI-UHFFFAOYSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (CID 53184656) is N,N-dimethyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is CN(C)C(=O)C1CN(C(=O)c2cccs2)CC12CCCCC2.
What is the InChIKey of N,N-dimethyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is VXBVPAIPRJFQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-18(2)15(20)13-11-19(16(21)14-7-6-10-22-14)12-17(13)8-4-3-5-9-17/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
N,N-dimethyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53184656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).