8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate

C21H26N2O3S — CID 69439371

IUPAC8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate
SMILESCOc1cccc(Cc2ccsc2N(C)C(=O)OC2CC3CCC(C2)N3)c1
InChIInChI=1S/C21H26N2O3S/c1-23(21(24)26-19-12-16-6-7-17(13-19)22-16)20-15(8-9-27-20)10-14-4-3-5-18(11-14)25-2/h3-5,8-9,11,16-17,19,22H,6-7,10,12-13H2,1-2H3
InChIKeyHJPVDLDPOQIION-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.20
Rot. Bonds5

About 8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate

8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate (PubChem CID 69439371) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate
PubChem CID69439371
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate
SMILESCOc1cccc(Cc2ccsc2N(C)C(=O)OC2CC3CCC(C2)N3)c1
InChIInChI=1S/C21H26N2O3S/c1-23(21(24)26-19-12-16-6-7-17(13-19)22-16)20-15(8-9-27-20)10-14-4-3-5-18(11-14)25-2/h3-5,8-9,11,16-17,19,22H,6-7,10,12-13H2,1-2H3
InChIKeyHJPVDLDPOQIION-UHFFFAOYSA-N
XLogP4.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate with MolForge

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Related Compounds

[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate
CID 11276989
2-(3-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 110723395
dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid
CID 90758333
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122443
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93376998
1-(azepan-2-yl)-2-(3-methoxyphenyl)ethanone
CID 116582555
1-[(3-methoxyphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid
CID 71941905
(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
4-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82480528
1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate (CID 69439371) is 8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate is COc1cccc(Cc2ccsc2N(C)C(=O)OC2CC3CCC(C2)N3)c1.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate?
The InChIKey is HJPVDLDPOQIION-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-23(21(24)26-19-12-16-6-7-17(13-19)22-16)20-15(8-9-27-20)10-14-4-3-5-18(11-14)25-2/h3-5,8-9,11,16-17,19,22H,6-7,10,12-13H2,1-2H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate?
8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate has a molecular weight of 386.52 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl N-[3-[(3-methoxyphenyl)methyl]thiophen-2-yl]-N-methylcarbamate is sourced from PubChem (CID 69439371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).