2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide

C11H18ClN3OS — CID 55103655

IUPAC2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
SMILESCN(CCN)CC(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H18ClN3OS/c1-14(6-5-13)8-11(16)15(2)7-9-3-4-10(12)17-9/h3-4H,5-8,13H2,1-2H3
InChIKeyNGAKMAXHXCXQEQ-UHFFFAOYSA-N
MW275.81 g/mol
LogP1.25
Rot. Bonds6

About 2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide

2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide (PubChem CID 55103655) has the molecular formula C11H18ClN3OS and a molecular weight of 275.81 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
PubChem CID55103655
Molecular FormulaC11H18ClN3OS
Molecular Weight275.81 g/mol
Exact Mass275.09
IUPAC Name2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
SMILESCN(CCN)CC(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H18ClN3OS/c1-14(6-5-13)8-11(16)15(2)7-9-3-4-10(12)17-9/h3-4H,5-8,13H2,1-2H3
InChIKeyNGAKMAXHXCXQEQ-UHFFFAOYSA-N
XLogP1.25
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.81
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
CID 107204311
ethyl 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetate
CID 62011016
methyl 4-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]butanoate
CID 62013274
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 120871808
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
CID 120871807
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-methylacetamide
CID 62015156
2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244
2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 167865036
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79198622
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide (CID 55103655) is 2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide is CN(CCN)CC(=O)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The InChIKey is NGAKMAXHXCXQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3OS/c1-14(6-5-13)8-11(16)15(2)7-9-3-4-10(12)17-9/h3-4H,5-8,13H2,1-2H3.
What are the key properties of 2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide has a molecular weight of 275.81 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 55103655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).