(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride

C12H23Cl2N3OS — CID 119830043

IUPAC(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)NCC(c1cccs1)N(C)C.Cl.Cl
InChIInChI=1S/C12H21N3OS.2ClH/c1-4-9(13)12(16)14-8-10(15(2)3)11-6-5-7-17-11;;/h5-7,9-10H,4,8,13H2,1-3H3,(H,14,16);2*1H/t9-,10?;;/m0../s1
InChIKeyBQDCITINZDWWRF-NSBDLEMJSA-N
MW328.31 g/mol
LogP2.05
Rot. Bonds6

About (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride

(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride (PubChem CID 119830043) has the molecular formula C12H23Cl2N3OS and a molecular weight of 328.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
PubChem CID119830043
Molecular FormulaC12H23Cl2N3OS
Molecular Weight328.31 g/mol
Exact Mass327.09
IUPAC Name(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)NCC(c1cccs1)N(C)C.Cl.Cl
InChIInChI=1S/C12H21N3OS.2ClH/c1-4-9(13)12(16)14-8-10(15(2)3)11-6-5-7-17-11;;/h5-7,9-10H,4,8,13H2,1-3H3,(H,14,16);2*1H/t9-,10?;;/m0../s1
InChIKeyBQDCITINZDWWRF-NSBDLEMJSA-N
XLogP2.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 76897072
(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-(aminomethyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,4-dimethylpentanamide
CID 107471836
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045
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
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-2-thiophen-2-ylacetamide
CID 115286974
ethyl 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutanoate
CID 60636693
1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide
CID 81172793

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride (CID 119830043) is (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride is CC[C@H](N)C(=O)NCC(c1cccs1)N(C)C.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride?
The InChIKey is BQDCITINZDWWRF-NSBDLEMJSA-N. The full InChI is InChI=1S/C12H21N3OS.2ClH/c1-4-9(13)12(16)14-8-10(15(2)3)11-6-5-7-17-11;;/h5-7,9-10H,4,8,13H2,1-3H3,(H,14,16);2*1H/t9-,10?;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride?
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride has a molecular weight of 328.31 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119830043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).