3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide

C11H18N2OS — CID 79494414

IUPAC3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
SMILESCC(Cc1cccs1)N(C)C(=O)CCN
InChIInChI=1S/C11H18N2OS/c1-9(8-10-4-3-7-15-10)13(2)11(14)5-6-12/h3-4,7,9H,5-6,8,12H2,1-2H3
InChIKeyLOTHCWNDFWKSLN-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.49
Rot. Bonds5

About 3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide

3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide (PubChem CID 79494414) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
PubChem CID79494414
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
SMILESCC(Cc1cccs1)N(C)C(=O)CCN
InChIInChI=1S/C11H18N2OS/c1-9(8-10-4-3-7-15-10)13(2)11(14)5-6-12/h3-4,7,9H,5-6,8,12H2,1-2H3
InChIKeyLOTHCWNDFWKSLN-UHFFFAOYSA-N
XLogP1.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide
CID 79494026
2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 96570370
(2R)-2-amino-N-methyl-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494338
1-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 115435396
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 106312517
N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide
CID 78854172
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 79494889
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 79494572
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide?
The IUPAC name of 3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide (CID 79494414) is 3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide?
The canonical SMILES for 3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide is CC(Cc1cccs1)N(C)C(=O)CCN.
What is the InChIKey of 3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide?
The InChIKey is LOTHCWNDFWKSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(8-10-4-3-7-15-10)13(2)11(14)5-6-12/h3-4,7,9H,5-6,8,12H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide?
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide has a molecular weight of 226.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide is sourced from PubChem (CID 79494414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).