2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide

C13H22N2OS — CID 79203080

IUPAC2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)CNC)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-4-6-11(12-7-5-8-17-12)15-13(16)10(2)9-14-3/h5,7-8,10-11,14H,4,6,9H2,1-3H3,(H,15,16)
InChIKeyOTGFIBUFJTZMRN-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.56
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide

2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide (PubChem CID 79203080) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide
PubChem CID79203080
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)CNC)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-4-6-11(12-7-5-8-17-12)15-13(16)10(2)9-14-3/h5,7-8,10-11,14H,4,6,9H2,1-3H3,(H,15,16)
InChIKeyOTGFIBUFJTZMRN-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985
5-amino-2-methyl-N-(1-thiophen-2-ylbutyl)pentanamide
CID 104684884
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 65229248
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
(2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide
CID 78984626
3-methyl-4-(1-thiophen-2-ylbutylcarbamoylamino)butanoic acid
CID 81069049
3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
CID 62173495
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide
CID 81087987

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide (CID 79203080) is 2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide is CCCC(NC(=O)C(C)CNC)c1cccs1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide?
The InChIKey is OTGFIBUFJTZMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-6-11(12-7-5-8-17-12)15-13(16)10(2)9-14-3/h5,7-8,10-11,14H,4,6,9H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide?
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide has a molecular weight of 254.40 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide is sourced from PubChem (CID 79203080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).