ethyl N-[(5-methylthiophen-2-yl)methyl]carbamate

C9H13NO2S — CID 20824634

IUPACethyl N-[(5-methylthiophen-2-yl)methyl]carbamate
SMILESCCOC(=O)NCc1ccc(C)s1
InChIInChI=1S/C9H13NO2S/c1-3-12-9(11)10-6-8-5-4-7(2)13-8/h4-5H,3,6H2,1-2H3,(H,10,11)
InChIKeyXOMOLGQXBBTFBW-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.30
Rot. Bonds3

About ethyl N-[(5-methylthiophen-2-yl)methyl]carbamate

ethyl N-[(5-methylthiophen-2-yl)methyl]carbamate (PubChem CID 20824634) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is ethyl N-[(5-methylthiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(5-methylthiophen-2-yl)methyl]carbamate
PubChem CID20824634
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Nameethyl N-[(5-methylthiophen-2-yl)methyl]carbamate
SMILESCCOC(=O)NCc1ccc(C)s1
InChIInChI=1S/C9H13NO2S/c1-3-12-9(11)10-6-8-5-4-7(2)13-8/h4-5H,3,6H2,1-2H3,(H,10,11)
InChIKeyXOMOLGQXBBTFBW-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
Carbamic acid, 2-thenyl-, 2-hydroxyethyl ester
CID 57422
tert-Butyl ((5-bromothiophen-2-yl)methyl)carbamate
CID 2779810
N-(3-Methoxypropyl)-N-(thien-2-ylmethyl)amine
CID 17206465
(2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate
CID 2799233
ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate
CID 2824600
1,3-Dimethyl-1-((5-methylthiophen-2-yl)methyl)urea
CID 53016463
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
N-(1-thiophen-2-ylethyl)formamide
CID 18681499
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate
CID 9450078

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(5-methylthiophen-2-yl)methyl]carbamate?
The IUPAC name of ethyl N-[(5-methylthiophen-2-yl)methyl]carbamate (CID 20824634) is ethyl N-[(5-methylthiophen-2-yl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(5-methylthiophen-2-yl)methyl]carbamate?
The canonical SMILES for ethyl N-[(5-methylthiophen-2-yl)methyl]carbamate is CCOC(=O)NCc1ccc(C)s1.
What is the InChIKey of ethyl N-[(5-methylthiophen-2-yl)methyl]carbamate?
The InChIKey is XOMOLGQXBBTFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-12-9(11)10-6-8-5-4-7(2)13-8/h4-5H,3,6H2,1-2H3,(H,10,11).
What are the key properties of ethyl N-[(5-methylthiophen-2-yl)methyl]carbamate?
ethyl N-[(5-methylthiophen-2-yl)methyl]carbamate has a molecular weight of 199.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(5-methylthiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 20824634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).