2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)-N-(2-thiophen-2-ylethyl)acetamide

C16H22N2OS — CID 75394034

IUPAC2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCN1C2CCC1CC(=CC(=O)NCCc1cccs1)C2
InChIInChI=1S/C16H22N2OS/c1-18-13-4-5-14(18)10-12(9-13)11-16(19)17-7-6-15-3-2-8-20-15/h2-3,8,11,13-14H,4-7,9-10H2,1H3,(H,17,19)
InChIKeyRMUFADPEHHTZSV-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.59
Rot. Bonds4

About 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)-N-(2-thiophen-2-ylethyl)acetamide

2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 75394034) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID75394034
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCN1C2CCC1CC(=CC(=O)NCCc1cccs1)C2
InChIInChI=1S/C16H22N2OS/c1-18-13-4-5-14(18)10-12(9-13)11-16(19)17-7-6-15-3-2-8-20-15/h2-3,8,11,13-14H,4-7,9-10H2,1H3,(H,17,19)
InChIKeyRMUFADPEHHTZSV-UHFFFAOYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 17407233
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea
CID 59684905
2-(cyclopropylmethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687934
2-(3,5-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858751
2-(cyclopropylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 60671964
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
8-propan-2-yl-N-(2-thiophen-2-ylethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 131658697
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858737
(7R)-5-cyclopentyl-1-methyl-N-(2-thiophen-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 124808407
2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 75855913
N-methyl-2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 8772566

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)-N-(2-thiophen-2-ylethyl)acetamide (CID 75394034) is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)-N-(2-thiophen-2-ylethyl)acetamide is CN1C2CCC1CC(=CC(=O)NCCc1cccs1)C2.
What is the InChIKey of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is RMUFADPEHHTZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-18-13-4-5-14(18)10-12(9-13)11-16(19)17-7-6-15-3-2-8-20-15/h2-3,8,11,13-14H,4-7,9-10H2,1H3,(H,17,19).
What are the key properties of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)-N-(2-thiophen-2-ylethyl)acetamide?
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 290.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 75394034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).