2-(azetidin-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide

C14H22N2OS — CID 116675609

IUPAC2-(azetidin-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
SMILESCC(C)C(NC(=O)C(C)C1CNC1)c1cccs1
InChIInChI=1S/C14H22N2OS/c1-9(2)13(12-5-4-6-18-12)16-14(17)10(3)11-7-15-8-11/h4-6,9-11,13,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyITIPRWAOLFBUOC-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.42
Rot. Bonds5

About 2-(azetidin-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide

2-(azetidin-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide (PubChem CID 116675609) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
PubChem CID116675609
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(azetidin-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
SMILESCC(C)C(NC(=O)C(C)C1CNC1)c1cccs1
InChIInChI=1S/C14H22N2OS/c1-9(2)13(12-5-4-6-18-12)16-14(17)10(3)11-7-15-8-11/h4-6,9-11,13,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyITIPRWAOLFBUOC-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
(3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 81124404
N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 43709154
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
N-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxamide
CID 81407911
2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 65225067
2-(azetidin-3-yl)-N-(1-phenylpropan-2-yl)propanamide
CID 116677788
N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopiperazine-2-carboxamide
CID 107434506
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide
CID 120948169
(2R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 95281938

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide (CID 116675609) is 2-(azetidin-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide is CC(C)C(NC(=O)C(C)C1CNC1)c1cccs1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide?
The InChIKey is ITIPRWAOLFBUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9(2)13(12-5-4-6-18-12)16-14(17)10(3)11-7-15-8-11/h4-6,9-11,13,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide?
2-(azetidin-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide has a molecular weight of 266.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide is sourced from PubChem (CID 116675609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).