ethyl N-(5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N-methylcarbamate

C11H15NO2S — CID 123554116

IUPACethyl N-(5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N-methylcarbamate
SMILESCCOC(=O)N(C)C1CCc2sccc21
InChIInChI=1S/C11H15NO2S/c1-3-14-11(13)12(2)9-4-5-10-8(9)6-7-15-10/h6-7,9H,3-5H2,1-2H3
InChIKeyOTNJWSWAKZZAGT-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.82
Rot. Bonds2

About ethyl N-(5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N-methylcarbamate

ethyl N-(5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N-methylcarbamate (PubChem CID 123554116) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is ethyl N-(5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-(5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N-methylcarbamate
PubChem CID123554116
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Nameethyl N-(5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N-methylcarbamate
SMILESCCOC(=O)N(C)C1CCc2sccc21
InChIInChI=1S/C11H15NO2S/c1-3-14-11(13)12(2)9-4-5-10-8(9)6-7-15-10/h6-7,9H,3-5H2,1-2H3
InChIKeyOTNJWSWAKZZAGT-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]propanoic acid
CID 65063004
ethyl 3-cyclobutylthiophene-2-carboxylate
CID 165454275
2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
CID 61067994
N-ethyl-N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 116655108
ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate
CID 75439221
ethyl N-cyclohexyl-N-(3-ethylthiophen-2-yl)carbamate
CID 150920744
2-propoxyethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylate
CID 63685601
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
N,N-dimethyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
CID 55122297
4-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 70136991
ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate
CID 55445563
benzyl N-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylcarbamate;ethane;propan-1-amine
CID 158498539

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N-methylcarbamate?
The IUPAC name of ethyl N-(5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N-methylcarbamate (CID 123554116) is ethyl N-(5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N-methylcarbamate.
What is the SMILES notation for ethyl N-(5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N-methylcarbamate?
The canonical SMILES for ethyl N-(5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N-methylcarbamate is CCOC(=O)N(C)C1CCc2sccc21.
What is the InChIKey of ethyl N-(5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N-methylcarbamate?
The InChIKey is OTNJWSWAKZZAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-3-14-11(13)12(2)9-4-5-10-8(9)6-7-15-10/h6-7,9H,3-5H2,1-2H3.
What are the key properties of ethyl N-(5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N-methylcarbamate?
ethyl N-(5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N-methylcarbamate has a molecular weight of 225.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-N-methylcarbamate is sourced from PubChem (CID 123554116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).