N-[3-(3-ethoxyazetidin-1-yl)propylsulfonyl]propanamide

C11H22N2O4S — CID 167519573

IUPACN-[3-(3-ethoxyazetidin-1-yl)propylsulfonyl]propanamide
SMILESCCOC1CN(CCCS(=O)(=O)NC(=O)CC)C1
InChIInChI=1S/C11H22N2O4S/c1-3-11(14)12-18(15,16)7-5-6-13-8-10(9-13)17-4-2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyBGZQBUNBBYEDKE-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.05
Rot. Bonds8

About N-[3-(3-ethoxyazetidin-1-yl)propylsulfonyl]propanamide

N-[3-(3-ethoxyazetidin-1-yl)propylsulfonyl]propanamide (PubChem CID 167519573) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[3-(3-ethoxyazetidin-1-yl)propylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[3-(3-ethoxyazetidin-1-yl)propylsulfonyl]propanamide
PubChem CID167519573
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-[3-(3-ethoxyazetidin-1-yl)propylsulfonyl]propanamide
SMILESCCOC1CN(CCCS(=O)(=O)NC(=O)CC)C1
InChIInChI=1S/C11H22N2O4S/c1-3-11(14)12-18(15,16)7-5-6-13-8-10(9-13)17-4-2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyBGZQBUNBBYEDKE-UHFFFAOYSA-N
XLogP-0.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxyazetidin-1-yl)propylsulfonyl]propanamide?
The IUPAC name of N-[3-(3-ethoxyazetidin-1-yl)propylsulfonyl]propanamide (CID 167519573) is N-[3-(3-ethoxyazetidin-1-yl)propylsulfonyl]propanamide.
What is the SMILES notation for N-[3-(3-ethoxyazetidin-1-yl)propylsulfonyl]propanamide?
The canonical SMILES for N-[3-(3-ethoxyazetidin-1-yl)propylsulfonyl]propanamide is CCOC1CN(CCCS(=O)(=O)NC(=O)CC)C1.
What is the InChIKey of N-[3-(3-ethoxyazetidin-1-yl)propylsulfonyl]propanamide?
The InChIKey is BGZQBUNBBYEDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-11(14)12-18(15,16)7-5-6-13-8-10(9-13)17-4-2/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-[3-(3-ethoxyazetidin-1-yl)propylsulfonyl]propanamide?
N-[3-(3-ethoxyazetidin-1-yl)propylsulfonyl]propanamide has a molecular weight of 278.37 g/mol, XLogP of -0.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethoxyazetidin-1-yl)propylsulfonyl]propanamide is sourced from PubChem (CID 167519573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).