2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide

C14H25N3OS — CID 76897072

IUPAC2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
SMILESCN(C)C(CNC(=O)C(N)C(C)(C)C)c1cccs1
InChIInChI=1S/C14H25N3OS/c1-14(2,3)12(15)13(18)16-9-10(17(4)5)11-7-6-8-19-11/h6-8,10,12H,9,15H2,1-5H3,(H,16,18)
InChIKeyQXLFLZALYIUIBS-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.84
Rot. Bonds5

About 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide

2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide (PubChem CID 76897072) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
PubChem CID76897072
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
SMILESCN(C)C(CNC(=O)C(N)C(C)(C)C)c1cccs1
InChIInChI=1S/C14H25N3OS/c1-14(2,3)12(15)13(18)16-9-10(17(4)5)11-7-6-8-19-11/h6-8,10,12H,9,15H2,1-5H3,(H,16,18)
InChIKeyQXLFLZALYIUIBS-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830043
2-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide
CID 107471836
(2R)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
CID 61273636
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
2-(tert-butylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 47839911
N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46522928
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
CID 61251162
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
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide (CID 76897072) is 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide is CN(C)C(CNC(=O)C(N)C(C)(C)C)c1cccs1.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide?
The InChIKey is QXLFLZALYIUIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-14(2,3)12(15)13(18)16-9-10(17(4)5)11-7-6-8-19-11/h6-8,10,12H,9,15H2,1-5H3,(H,16,18).
What are the key properties of 2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide?
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide has a molecular weight of 283.44 g/mol, XLogP of 1.84, 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]-3,3-dimethylbutanamide is sourced from PubChem (CID 76897072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).