3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide

C13H22N2OS — CID 81086681

IUPAC3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide
SMILESCCC(CN)CC(=O)NC(CC)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-3-10(9-14)8-13(16)15-11(4-2)12-6-5-7-17-12/h5-7,10-11H,3-4,8-9,14H2,1-2H3,(H,15,16)
InChIKeyVTZVHSJMHWOVFN-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.69
Rot. Bonds7

About 3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide

3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide (PubChem CID 81086681) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide
PubChem CID81086681
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide
SMILESCCC(CN)CC(=O)NC(CC)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-3-10(9-14)8-13(16)15-11(4-2)12-6-5-7-17-12/h5-7,10-11H,3-4,8-9,14H2,1-2H3,(H,15,16)
InChIKeyVTZVHSJMHWOVFN-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
6-amino-N-(1-thiophen-2-ylpropyl)hexanamide
CID 54964033
4-chloro-N-(1-thiophen-2-ylpropyl)butanamide
CID 63308382
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
2-[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284697
2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
CID 82110517
3-methyl-5-oxo-5-(1-thiophen-2-ylpropylcarbamoylamino)pentanoic acid
CID 62963797
3-(butanoylamino)-3-thiophen-2-ylpropanoic acid
CID 60750131
2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 65229248
(2R)-4-amino-4-oxo-2-(1-thiophen-2-ylpropylcarbamoylamino)butanoic acid
CID 107826898
2-propyl-1-(1-thiophen-2-ylpropyl)guanidine
CID 62362455
2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide
CID 65241939

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide (CID 81086681) is 3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide is CCC(CN)CC(=O)NC(CC)c1cccs1.
What is the InChIKey of 3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide?
The InChIKey is VTZVHSJMHWOVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-10(9-14)8-13(16)15-11(4-2)12-6-5-7-17-12/h5-7,10-11H,3-4,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide?
3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide has a molecular weight of 254.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1-thiophen-2-ylpropyl)pentanamide is sourced from PubChem (CID 81086681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).