3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide

C11H18N2OS — CID 81489154

IUPAC3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide
SMILESCC(C)(CN)C(=O)NCCc1ccsc1
InChIInChI=1S/C11H18N2OS/c1-11(2,8-12)10(14)13-5-3-9-4-6-15-7-9/h4,6-7H,3,5,8,12H2,1-2H3,(H,13,14)
InChIKeyLSIXLDPHIABZHM-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.39
Rot. Bonds5

About 3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide

3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide (PubChem CID 81489154) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide
PubChem CID81489154
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide
SMILESCC(C)(CN)C(=O)NCCc1ccsc1
InChIInChI=1S/C11H18N2OS/c1-11(2,8-12)10(14)13-5-3-9-4-6-15-7-9/h4,6-7H,3,5,8,12H2,1-2H3,(H,13,14)
InChIKeyLSIXLDPHIABZHM-UHFFFAOYSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide
CID 113270556
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide
CID 145215422
3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115154707
4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one
CID 116600113
4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide
CID 103155650
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925
3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119688226
7-amino-N-(2-thiophen-3-ylethyl)heptanamide
CID 54953945
3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79763048
2,2,3-trimethyl-3-(2-thiophen-3-ylethylamino)butanoic acid
CID 65264366
N'-(cyanomethyl)-N-(2-thiophen-3-ylethyl)oxamide
CID 61477384

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide (CID 81489154) is 3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide is CC(C)(CN)C(=O)NCCc1ccsc1.
What is the InChIKey of 3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide?
The InChIKey is LSIXLDPHIABZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(2,8-12)10(14)13-5-3-9-4-6-15-7-9/h4,6-7H,3,5,8,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide?
3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide has a molecular weight of 226.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 81489154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).