2-(azetidin-3-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide

C14H22N2OS — CID 116675057

IUPAC2-(azetidin-3-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide
SMILESCc1cc(C(C)NC(=O)C(C)C2CNC2)c(C)s1
InChIInChI=1S/C14H22N2OS/c1-8-5-13(11(4)18-8)10(3)16-14(17)9(2)12-6-15-7-12/h5,9-10,12,15H,6-7H2,1-4H3,(H,16,17)
InChIKeyQBFGWDJCZNMTMR-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.40
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide

2-(azetidin-3-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide (PubChem CID 116675057) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide
PubChem CID116675057
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(azetidin-3-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide
SMILESCc1cc(C(C)NC(=O)C(C)C2CNC2)c(C)s1
InChIInChI=1S/C14H22N2OS/c1-8-5-13(11(4)18-8)10(3)16-14(17)9(2)12-6-15-7-12/h5,9-10,12,15H,6-7H2,1-4H3,(H,16,17)
InChIKeyQBFGWDJCZNMTMR-UHFFFAOYSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide (CID 116675057) is 2-(azetidin-3-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide is Cc1cc(C(C)NC(=O)C(C)C2CNC2)c(C)s1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide?
The InChIKey is QBFGWDJCZNMTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-8-5-13(11(4)18-8)10(3)16-14(17)9(2)12-6-15-7-12/h5,9-10,12,15H,6-7H2,1-4H3,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide?
2-(azetidin-3-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide has a molecular weight of 266.41 g/mol, XLogP of 2.40, 4 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-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide is sourced from PubChem (CID 116675057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).