4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide

C12H20N2OS — CID 79494506

IUPAC4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
SMILESCC(N)CCC(=O)N(C)CCc1cccs1
InChIInChI=1S/C12H20N2OS/c1-10(13)5-6-12(15)14(2)8-7-11-4-3-9-16-11/h3-4,9-10H,5-8,13H2,1-2H3
InChIKeyKBRFUGWVUYBSMA-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.88
Rot. Bonds6

About 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide

4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide (PubChem CID 79494506) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
PubChem CID79494506
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
SMILESCC(N)CCC(=O)N(C)CCc1cccs1
InChIInChI=1S/C12H20N2OS/c1-10(13)5-6-12(15)14(2)8-7-11-4-3-9-16-11/h3-4,9-10H,5-8,13H2,1-2H3
InChIKeyKBRFUGWVUYBSMA-UHFFFAOYSA-N
XLogP1.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192
methyl 4-[methyl(2-thiophen-2-ylethyl)amino]-4-oxobutanoate
CID 110733429
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
(2S)-2-amino-3-methyl-N-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethyl]butanamide
CID 82962492
3-methyl-5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79475565
2-amino-N-methyl-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79494111
2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494038
6-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)heptanamide
CID 65292813
(3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide
CID 79493813
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 106151574
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
7-amino-1-thiophen-2-yloctan-3-one
CID 116610138

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide?
The IUPAC name of 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide (CID 79494506) is 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide is CC(N)CCC(=O)N(C)CCc1cccs1.
What is the InChIKey of 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide?
The InChIKey is KBRFUGWVUYBSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10(13)5-6-12(15)14(2)8-7-11-4-3-9-16-11/h3-4,9-10H,5-8,13H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide?
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide has a molecular weight of 240.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide is sourced from PubChem (CID 79494506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).