2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide

C12H21N3OS — CID 46989771

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CN(CCN(C)C)C(=O)CN
InChIInChI=1S/C12H21N3OS/c1-10-4-7-17-11(10)9-15(12(16)8-13)6-5-14(2)3/h4,7H,5-6,8-9,13H2,1-3H3
InChIKeyULVLLASEDXVOMO-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.91
Rot. Bonds6

About 2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 46989771) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID46989771
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CN(CCN(C)C)C(=O)CN
InChIInChI=1S/C12H21N3OS/c1-10-4-7-17-11(10)9-15(12(16)8-13)6-5-14(2)3/h4,7H,5-6,8-9,13H2,1-3H3
InChIKeyULVLLASEDXVOMO-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 46989771) is 2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CN(CCN(C)C)C(=O)CN.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is ULVLLASEDXVOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-10-4-7-17-11(10)9-15(12(16)8-13)6-5-14(2)3/h4,7H,5-6,8-9,13H2,1-3H3.
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 255.39 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 46989771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).