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

C16H22N2O2S — CID 53184688

IUPACN-methyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cccs2)CC12CCCCC2
InChIInChI=1S/C16H22N2O2S/c1-17-14(19)12-10-18(15(20)13-6-5-9-21-13)11-16(12)7-3-2-4-8-16/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,17,19)
InChIKeyGBPVGAYBSHOAMN-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.52
Rot. Bonds2

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

N-methyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53184688) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-methyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53184688
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-methyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cccs2)CC12CCCCC2
InChIInChI=1S/C16H22N2O2S/c1-17-14(19)12-10-18(15(20)13-6-5-9-21-13)11-16(12)7-3-2-4-8-16/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,17,19)
InChIKeyGBPVGAYBSHOAMN-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-methyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (CID 53184688) is N-methyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-methyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-methyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is CNC(=O)C1CN(C(=O)c2cccs2)CC12CCCCC2.
What is the InChIKey of N-methyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is GBPVGAYBSHOAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-17-14(19)12-10-18(15(20)13-6-5-9-21-13)11-16(12)7-3-2-4-8-16/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,17,19).
What are the key properties of N-methyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
N-methyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53184688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).