2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide

C12H20N2OS — CID 99636574

IUPAC2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide
SMILESCc1ccsc1[C@@H](C)NCC(C)(C)C(N)=O
InChIInChI=1S/C12H20N2OS/c1-8-5-6-16-10(8)9(2)14-7-12(3,4)11(13)15/h5-6,9,14H,7H2,1-4H3,(H2,13,15)/t9-/m1/s1
InChIKeyZTZKFNOXUSOPOE-SECBINFHSA-N
MW240.37 g/mol
LogP2.22
Rot. Bonds5

About 2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide

2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide (PubChem CID 99636574) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide
PubChem CID99636574
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide
SMILESCc1ccsc1[C@@H](C)NCC(C)(C)C(N)=O
InChIInChI=1S/C12H20N2OS/c1-8-5-6-16-10(8)9(2)14-7-12(3,4)11(13)15/h5-6,9,14H,7H2,1-4H3,(H2,13,15)/t9-/m1/s1
InChIKeyZTZKFNOXUSOPOE-SECBINFHSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide 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

2,2-dimethyl-3-[[(1S)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide
CID 99636575
2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol
CID 104860527
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
CID 63993417
2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide
CID 115903334
2,2-dimethyl-3-(1-phenylethylamino)propanamide
CID 115667918
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide
CID 113354496
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
CID 64912799
2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine
CID 114615575
3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide
CID 113383872
4-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
CID 63991012
3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide
CID 107093925
N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
CID 63992869

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide (CID 99636574) is 2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide is Cc1ccsc1[C@@H](C)NCC(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide?
The InChIKey is ZTZKFNOXUSOPOE-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8-5-6-16-10(8)9(2)14-7-12(3,4)11(13)15/h5-6,9,14H,7H2,1-4H3,(H2,13,15)/t9-/m1/s1.
What are the key properties of 2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide?
2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide has a molecular weight of 240.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide is sourced from PubChem (CID 99636574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).