ethyl N-(5-chlorothiophen-3-yl)carbamate

C7H8ClNO2S — CID 130708506

IUPACethyl N-(5-chlorothiophen-3-yl)carbamate
SMILESCCOC(=O)Nc1csc(Cl)c1
InChIInChI=1S/C7H8ClNO2S/c1-2-11-7(10)9-5-3-6(8)12-4-5/h3-4H,2H2,1H3,(H,9,10)
InChIKeySYBIQLVCKSPLGK-UHFFFAOYSA-N
MW205.67 g/mol
LogP2.97
Rot. Bonds2

About ethyl N-(5-chlorothiophen-3-yl)carbamate

ethyl N-(5-chlorothiophen-3-yl)carbamate (PubChem CID 130708506) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is ethyl N-(5-chlorothiophen-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-chlorothiophen-3-yl)carbamate
PubChem CID130708506
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Nameethyl N-(5-chlorothiophen-3-yl)carbamate
SMILESCCOC(=O)Nc1csc(Cl)c1
InChIInChI=1S/C7H8ClNO2S/c1-2-11-7(10)9-5-3-6(8)12-4-5/h3-4H,2H2,1H3,(H,9,10)
InChIKeySYBIQLVCKSPLGK-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
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ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate
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ethane;ethyl N-(4-methylphenyl)carbamate
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ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate
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[3-(ethoxycarbonylamino)phenyl]carbamic acid
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ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate
CID 13021625
ethyl 4-(5-chlorothiophen-3-yl)benzoate
CID 102259679
ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
CID 60723628
ethyl N-(3-chloro-4-nitrophenyl)carbamate
CID 22921588
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-chlorothiophen-3-yl)carbamate?
The IUPAC name of ethyl N-(5-chlorothiophen-3-yl)carbamate (CID 130708506) is ethyl N-(5-chlorothiophen-3-yl)carbamate.
What is the SMILES notation for ethyl N-(5-chlorothiophen-3-yl)carbamate?
The canonical SMILES for ethyl N-(5-chlorothiophen-3-yl)carbamate is CCOC(=O)Nc1csc(Cl)c1.
What is the InChIKey of ethyl N-(5-chlorothiophen-3-yl)carbamate?
The InChIKey is SYBIQLVCKSPLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c1-2-11-7(10)9-5-3-6(8)12-4-5/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of ethyl N-(5-chlorothiophen-3-yl)carbamate?
ethyl N-(5-chlorothiophen-3-yl)carbamate has a molecular weight of 205.67 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-chlorothiophen-3-yl)carbamate is sourced from PubChem (CID 130708506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).