ethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate

C10H14N2O3S — CID 12669237

IUPACethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate
SMILESCCOC(=O)Nc1ccsc1N(C)C(C)=O
InChIInChI=1S/C10H14N2O3S/c1-4-15-10(14)11-8-5-6-16-9(8)12(3)7(2)13/h5-6H,4H2,1-3H3,(H,11,14)
InChIKeySXHBJQNNJVSEMF-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.30
Rot. Bonds3

About ethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate

ethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate (PubChem CID 12669237) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate
PubChem CID12669237
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate
SMILESCCOC(=O)Nc1ccsc1N(C)C(C)=O
InChIInChI=1S/C10H14N2O3S/c1-4-15-10(14)11-8-5-6-16-9(8)12(3)7(2)13/h5-6H,4H2,1-3H3,(H,11,14)
InChIKeySXHBJQNNJVSEMF-UHFFFAOYSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one
CID 16640233
ethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate
CID 15355949
ethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate
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ethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate
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ethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate
CID 13103674
ethyl N-[2-(2-aminopropyl)thiophen-3-yl]carbamate
CID 170891135
ethyl (Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]prop-2-enoate
CID 165145828
ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate
CID 14948425
ethyl N-[2-(diethylaminomethyl)phenyl]carbamate
CID 61215408
ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate
CID 61061554
3-amino-1-methyl-1-(3-methylthiophen-2-yl)urea
CID 115192593
ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate
CID 115257352

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate?
The IUPAC name of ethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate (CID 12669237) is ethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate.
What is the SMILES notation for ethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate?
The canonical SMILES for ethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate is CCOC(=O)Nc1ccsc1N(C)C(C)=O.
What is the InChIKey of ethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate?
The InChIKey is SXHBJQNNJVSEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-4-15-10(14)11-8-5-6-16-9(8)12(3)7(2)13/h5-6H,4H2,1-3H3,(H,11,14).
What are the key properties of ethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate?
ethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate has a molecular weight of 242.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate is sourced from PubChem (CID 12669237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).