2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide

C12H20N2OS — CID 43709179

IUPAC2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
SMILESCCC(N)C(=O)NC(c1cccs1)C(C)C
InChIInChI=1S/C12H20N2OS/c1-4-9(13)12(15)14-11(8(2)3)10-6-5-7-16-10/h5-9,11H,4,13H2,1-3H3,(H,14,15)
InChIKeyXBMJKZRWTPLFTA-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.30
Rot. Bonds5

About 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide

2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide (PubChem CID 43709179) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
PubChem CID43709179
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
SMILESCCC(N)C(=O)NC(c1cccs1)C(C)C
InChIInChI=1S/C12H20N2OS/c1-4-9(13)12(15)14-11(8(2)3)10-6-5-7-16-10/h5-9,11H,4,13H2,1-3H3,(H,14,15)
InChIKeyXBMJKZRWTPLFTA-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 79024579
2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 65225067
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
6-amino-2-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptanamide
CID 65290946
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide
CID 107471377
2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride
CID 119300993
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
2-bromo-3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43699738
2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
CID 103244688
1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea
CID 115575874
2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43709161
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide?
The IUPAC name of 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide (CID 43709179) is 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide.
What is the SMILES notation for 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide?
The canonical SMILES for 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide is CCC(N)C(=O)NC(c1cccs1)C(C)C.
What is the InChIKey of 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide?
The InChIKey is XBMJKZRWTPLFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-9(13)12(15)14-11(8(2)3)10-6-5-7-16-10/h5-9,11H,4,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide?
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide has a molecular weight of 240.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide is sourced from PubChem (CID 43709179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).