methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate

C10H14ClNO2S — CID 115128347

IUPACmethyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(C)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO2S/c1-10(2,9(13)14-4)12(3)8-6-5-7(11)15-8/h5-6H,1-4H3
InChIKeyIFMONXGYVRWBGH-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.79
Rot. Bonds3

About methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate

methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate (PubChem CID 115128347) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate
PubChem CID115128347
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Namemethyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(C)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO2S/c1-10(2,9(13)14-4)12(3)8-6-5-7(11)15-8/h5-6H,1-4H3
InChIKeyIFMONXGYVRWBGH-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128348
methyl 2-methyl-2-[methyl(thiophen-2-yl)amino]propanoate
CID 115128321
methyl 3-(5-chlorothiophen-2-yl)-2,2-dimethyl-3-oxopropanoate
CID 116919231
ethyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128742
methyl 2-(3,4-difluoro-N-methylanilino)-2-methylpropanoate
CID 115128358
methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate
CID 115128341
3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea
CID 115192475
N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine
CID 91603998
methyl 2-(3-bromo-4-methoxy-N-methylanilino)-2-methylpropanoate
CID 115128349
1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222109
2-chloro-5-[sulfinato-(4,4,4-trifluoro-1-methoxy-1-oxo-3-phenylbutan-2-yl)amino]thiophene
CID 68726706
methyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate
CID 141001456

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate (CID 115128347) is methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate is COC(=O)C(C)(C)N(C)c1ccc(Cl)s1.
What is the InChIKey of methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate?
The InChIKey is IFMONXGYVRWBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-10(2,9(13)14-4)12(3)8-6-5-7(11)15-8/h5-6H,1-4H3.
What are the key properties of methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate?
methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate has a molecular weight of 247.75 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 115128347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).