ethyl N-[2-(4-methylthiophen-2-yl)ethyl]carbamate

C10H15NO2S — CID 121315192

IUPACethyl N-[2-(4-methylthiophen-2-yl)ethyl]carbamate
SMILESCCOC(=O)NCCc1cc(C)cs1
InChIInChI=1S/C10H15NO2S/c1-3-13-10(12)11-5-4-9-6-8(2)7-14-9/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyDFUQGWFRQTZPFS-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.35
Rot. Bonds4

About ethyl N-[2-(4-methylthiophen-2-yl)ethyl]carbamate

ethyl N-[2-(4-methylthiophen-2-yl)ethyl]carbamate (PubChem CID 121315192) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl N-[2-(4-methylthiophen-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-methylthiophen-2-yl)ethyl]carbamate
PubChem CID121315192
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethyl N-[2-(4-methylthiophen-2-yl)ethyl]carbamate
SMILESCCOC(=O)NCCc1cc(C)cs1
InChIInChI=1S/C10H15NO2S/c1-3-13-10(12)11-5-4-9-6-8(2)7-14-9/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyDFUQGWFRQTZPFS-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.35
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 (2-(thiophen-3-yl)ethyl)carbamate
CID 49670241
ethyl N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]carbamate
CID 47030891
2,2,2-trifluoroethyl N-[2-(thiophen-2-yl)ethyl]carbamate
CID 45792051
Ethyl (thiophen-2-ylmethyl)carbamate
CID 235154
tert-butyl N-[(2-prop-2-enylthiophen-3-yl)methyl]carbamate
CID 72695914
2,2,2-trifluoroethyl N-(1-thiophen-2-ylethyl)carbamate
CID 47079438
2,2,2-trifluoroethyl N-(2-methyl-1-thiophen-2-ylpropyl)carbamate
CID 60705958
2,2,2-trifluoroethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate
CID 61173300
2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropan-2-yl)carbamate
CID 63222193
2,2,2-trifluoroethyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 64687363
2,2,2-trifluoroethyl N-(2-thiophen-3-ylethyl)carbamate
CID 65173247

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-methylthiophen-2-yl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(4-methylthiophen-2-yl)ethyl]carbamate (CID 121315192) is ethyl N-[2-(4-methylthiophen-2-yl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-methylthiophen-2-yl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(4-methylthiophen-2-yl)ethyl]carbamate is CCOC(=O)NCCc1cc(C)cs1.
What is the InChIKey of ethyl N-[2-(4-methylthiophen-2-yl)ethyl]carbamate?
The InChIKey is DFUQGWFRQTZPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-13-10(12)11-5-4-9-6-8(2)7-14-9/h6-7H,3-5H2,1-2H3,(H,11,12).
What are the key properties of ethyl N-[2-(4-methylthiophen-2-yl)ethyl]carbamate?
ethyl N-[2-(4-methylthiophen-2-yl)ethyl]carbamate has a molecular weight of 213.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-methylthiophen-2-yl)ethyl]carbamate is sourced from PubChem (CID 121315192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).