2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide

C12H21N3OS — CID 61266045

IUPAC2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
SMILESCN(C)C(CNC(=O)C(C)(C)N)c1cccs1
InChIInChI=1S/C12H21N3OS/c1-12(2,13)11(16)14-8-9(15(3)4)10-6-5-7-17-10/h5-7,9H,8,13H2,1-4H3,(H,14,16)
InChIKeyJGTVQDHAOYRMMR-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.20
Rot. Bonds5

About 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide

2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide (PubChem CID 61266045) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
PubChem CID61266045
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
SMILESCN(C)C(CNC(=O)C(C)(C)N)c1cccs1
InChIInChI=1S/C12H21N3OS/c1-12(2,13)11(16)14-8-9(15(3)4)10-6-5-7-17-10/h5-7,9H,8,13H2,1-4H3,(H,14,16)
InChIKeyJGTVQDHAOYRMMR-UHFFFAOYSA-N
XLogP1.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 76897072
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
2-(tert-butylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 47839911
2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide
CID 107471836
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134291
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830043
2-amino-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methylpropanamide
CID 119859431
(2R)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
CID 61273636
1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide
CID 81172793
1-[2-[(S)-tert-butylsulfinyl]ethyl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 97072900

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide (CID 61266045) is 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide is CN(C)C(CNC(=O)C(C)(C)N)c1cccs1.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide?
The InChIKey is JGTVQDHAOYRMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-12(2,13)11(16)14-8-9(15(3)4)10-6-5-7-17-10/h5-7,9H,8,13H2,1-4H3,(H,14,16).
What are the key properties of 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide?
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide has a molecular weight of 255.39 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide is sourced from PubChem (CID 61266045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).