ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate

C11H17NO2S — CID 142216499

IUPACethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate
SMILESCCOC(=O)N(C)CCCc1cccs1
InChIInChI=1S/C11H17NO2S/c1-3-14-11(13)12(2)8-4-6-10-7-5-9-15-10/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyUMKGXIKTOKBKBJ-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.77
Rot. Bonds5

About ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate

ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate (PubChem CID 142216499) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate
PubChem CID142216499
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Nameethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate
SMILESCCOC(=O)N(C)CCCc1cccs1
InChIInChI=1S/C11H17NO2S/c1-3-14-11(13)12(2)8-4-6-10-7-5-9-15-10/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyUMKGXIKTOKBKBJ-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 783744
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Methyl 7-thiophen-2-yl-1,4-thiazepane-4-carboxylate
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Ethyl 1-oxo-7-thiophen-2-yl-1,4-thiazepane-4-carboxylate
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ethyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 100042081
methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 145714287
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate?
The IUPAC name of ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate (CID 142216499) is ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate.
What is the SMILES notation for ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate?
The canonical SMILES for ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate is CCOC(=O)N(C)CCCc1cccs1.
What is the InChIKey of ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate?
The InChIKey is UMKGXIKTOKBKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-14-11(13)12(2)8-4-6-10-7-5-9-15-10/h5,7,9H,3-4,6,8H2,1-2H3.
What are the key properties of ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate?
ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate has a molecular weight of 227.33 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate is sourced from PubChem (CID 142216499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).