N-(1-aminopropan-2-yl)-N-methyl-3-thiophen-3-ylpropanamide

C11H18N2OS — CID 91659673

IUPACN-(1-aminopropan-2-yl)-N-methyl-3-thiophen-3-ylpropanamide
SMILESCC(CN)N(C)C(=O)CCc1ccsc1
InChIInChI=1S/C11H18N2OS/c1-9(7-12)13(2)11(14)4-3-10-5-6-15-8-10/h5-6,8-9H,3-4,7,12H2,1-2H3
InChIKeyKEZTVYGQYRZDON-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.49
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-3-thiophen-3-ylpropanamide

N-(1-aminopropan-2-yl)-N-methyl-3-thiophen-3-ylpropanamide (PubChem CID 91659673) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-3-thiophen-3-ylpropanamide
PubChem CID91659673
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-3-thiophen-3-ylpropanamide
SMILESCC(CN)N(C)C(=O)CCc1ccsc1
InChIInChI=1S/C11H18N2OS/c1-9(7-12)13(2)11(14)4-3-10-5-6-15-8-10/h5-6,8-9H,3-4,7,12H2,1-2H3
InChIKeyKEZTVYGQYRZDON-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

tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(thiophen-3-yl)ethyl]carbamate
CID 11544076
1-(3-Thiophen-3-ylpropanoyl)piperidine-4-carboxamide
CID 9117696
N-propyl-2-thiophen-3-ylacetamide
CID 2517958
cis-(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-thiophen-3-ylcyclopropane-1-carboxamide
CID 44430844
Icosa-5,8,11,14-tetraenoic acid (2-thiophen-3-yl-ethyl)-amide
CID 11090957
(5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide
CID 11102012
(2S)-1-[(2S)-2-amino-3-thiophen-3-ylpropanoyl]pyrrolidine-2-carbonitrile
CID 76311138
N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-2-thiophen-3-ylacetamide
CID 14771405
(R)-3-Amino-1-thiazolidin-3-yl-4-thiophen-3-yl-butan-1-one
CID 44393728
(2S)-2-(2-oxo-4-thiophen-3-ylpyrrolidin-1-yl)butanamide
CID 9964929
N-[2-(dimethylamino)ethyl]-2-(thiophen-2-yl)acetamide
CID 803009
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclopentanecarboxamide
CID 24234478

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-thiophen-3-ylpropanamide (CID 91659673) is N-(1-aminopropan-2-yl)-N-methyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-3-thiophen-3-ylpropanamide is CC(CN)N(C)C(=O)CCc1ccsc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-3-thiophen-3-ylpropanamide?
The InChIKey is KEZTVYGQYRZDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(7-12)13(2)11(14)4-3-10-5-6-15-8-10/h5-6,8-9H,3-4,7,12H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-3-thiophen-3-ylpropanamide?
N-(1-aminopropan-2-yl)-N-methyl-3-thiophen-3-ylpropanamide 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 N-(1-aminopropan-2-yl)-N-methyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 91659673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).