2-methyl-N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]propanamide

C10H20N2O3S — CID 164739919

IUPAC2-methyl-N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C10H20N2O3S/c1-8(2)10(13)11-5-4-9-6-12(7-9)16(3,14)15/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeySSTZWMSMSQXQTF-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.04
Rot. Bonds5

About 2-methyl-N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]propanamide

2-methyl-N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]propanamide (PubChem CID 164739919) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]propanamide
PubChem CID164739919
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-methyl-N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C10H20N2O3S/c1-8(2)10(13)11-5-4-9-6-12(7-9)16(3,14)15/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeySSTZWMSMSQXQTF-UHFFFAOYSA-N
XLogP0.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]propanamide (CID 164739919) is 2-methyl-N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]propanamide is CC(C)C(=O)NCCC1CN(S(C)(=O)=O)C1.
What is the InChIKey of 2-methyl-N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]propanamide?
The InChIKey is SSTZWMSMSQXQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8(2)10(13)11-5-4-9-6-12(7-9)16(3,14)15/h8-9H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 2-methyl-N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]propanamide?
2-methyl-N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]propanamide has a molecular weight of 248.35 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-methylsulfonylazetidin-3-yl)ethyl]propanamide is sourced from PubChem (CID 164739919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).