methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate

C8H10ClNO2S — CID 115579886

IUPACmethyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
SMILESCOC(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO2S/c1-5(10-8(11)12-2)6-3-4-7(9)13-6/h3-5H,1-2H3,(H,10,11)
InChIKeyOOOSVDCPBJVWQT-UHFFFAOYSA-N
MW219.69 g/mol
LogP2.82
Rot. Bonds2

About methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate

methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate (PubChem CID 115579886) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
PubChem CID115579886
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Namemethyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
SMILESCOC(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO2S/c1-5(10-8(11)12-2)6-3-4-7(9)13-6/h3-5H,1-2H3,(H,10,11)
InChIKeyOOOSVDCPBJVWQT-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate
CID 43438917
N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide
CID 112726739
(2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 38322913
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264508
1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17217672
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
CID 103749027
(Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide
CID 47028293
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604497
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride
CID 119287389
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide
CID 103928730

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate?
The IUPAC name of methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate (CID 115579886) is methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate is COC(=O)NC(C)c1ccc(Cl)s1.
What is the InChIKey of methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate?
The InChIKey is OOOSVDCPBJVWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-5(10-8(11)12-2)6-3-4-7(9)13-6/h3-5H,1-2H3,(H,10,11).
What are the key properties of methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate?
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate has a molecular weight of 219.69 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate is sourced from PubChem (CID 115579886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).