2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide

C11H19N3OS — CID 103244688

IUPAC2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
SMILESCC(C)C(NCC(N)C(N)=O)c1cccs1
InChIInChI=1S/C11H19N3OS/c1-7(2)10(9-4-3-5-16-9)14-6-8(12)11(13)15/h3-5,7-8,10,14H,6,12H2,1-2H3,(H2,13,15)
InChIKeyBJFRVTUCRKBDKA-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.85
Rot. Bonds6

About 2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide

2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide (PubChem CID 103244688) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide.

Molecular Properties

Compound Name2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
PubChem CID103244688
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
SMILESCC(C)C(NCC(N)C(N)=O)c1cccs1
InChIInChI=1S/C11H19N3OS/c1-7(2)10(9-4-3-5-16-9)14-6-8(12)11(13)15/h3-5,7-8,10,14H,6,12H2,1-2H3,(H2,13,15)
InChIKeyBJFRVTUCRKBDKA-UHFFFAOYSA-N
XLogP0.85
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-bromo-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanoate
CID 103244670
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179
(2S)-2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 79024579
2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid
CID 64583236
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide
CID 62900414
N,N-dimethyl-N'-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 43770180
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 65225067
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide?
The IUPAC name of 2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide (CID 103244688) is 2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide.
What is the SMILES notation for 2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide?
The canonical SMILES for 2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide is CC(C)C(NCC(N)C(N)=O)c1cccs1.
What is the InChIKey of 2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide?
The InChIKey is BJFRVTUCRKBDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)10(9-4-3-5-16-9)14-6-8(12)11(13)15/h3-5,7-8,10,14H,6,12H2,1-2H3,(H2,13,15).
What are the key properties of 2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide?
2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide has a molecular weight of 241.36 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide is sourced from PubChem (CID 103244688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).