thiophen-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

C15H21NOS — CID 2928467

IUPACthiophen-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCC1(C)CC2CC(C)(CN2C(=O)c2cccs2)C1
InChIInChI=1S/C15H21NOS/c1-14(2)7-11-8-15(3,9-14)10-16(11)13(17)12-5-4-6-18-12/h4-6,11H,7-10H2,1-3H3
InChIKeySWEDMORAHBXTJR-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.79
Rot. Bonds1

About thiophen-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

thiophen-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (PubChem CID 2928467) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is thiophen-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.

Molecular Properties

Compound Namethiophen-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
PubChem CID2928467
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Namethiophen-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCC1(C)CC2CC(C)(CN2C(=O)c2cccs2)C1
InChIInChI=1S/C15H21NOS/c1-14(2)7-11-8-15(3,9-14)10-16(11)13(17)12-5-4-6-18-12/h4-6,11H,7-10H2,1-3H3
InChIKeySWEDMORAHBXTJR-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze thiophen-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone with MolForge

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Related Compounds

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CID 2741532
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N-benzyl-N-(propan-2-yl)thiophene-2-carboxamide
CID 668925
Azepan-1-yl-(5-methylthiophen-3-yl)methanone
CID 1247215
(4-Tert-butylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 16312479
1-Methyl-cyclohexanecarboxylic acid methyl-thiophen-2-ylmethyl-amide
CID 57576921
(3-Phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
2-Azaspiro[5.5]undecan-2-yl(thiophen-2-yl)methanone
CID 54580944
N-benzyl-N-ethylthiophene-2-carboxamide
CID 668924
(2-Ethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 2842657
2-(4-Fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine
CID 50747041
[2-(Pyrrolidin-1-ylmethyl)azepan-1-yl]-thiophen-2-ylmethanone
CID 134804070

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The IUPAC name of thiophen-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (CID 2928467) is thiophen-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.
What is the SMILES notation for thiophen-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The canonical SMILES for thiophen-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is CC1(C)CC2CC(C)(CN2C(=O)c2cccs2)C1.
What is the InChIKey of thiophen-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The InChIKey is SWEDMORAHBXTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-14(2)7-11-8-15(3,9-14)10-16(11)13(17)12-5-4-6-18-12/h4-6,11H,7-10H2,1-3H3.
What are the key properties of thiophen-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
thiophen-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone has a molecular weight of 263.41 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is sourced from PubChem (CID 2928467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).