2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide

C8H16N2O3S — CID 70852288

IUPAC2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide
SMILESCC(C)C(=O)NC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C8H16N2O3S/c1-6(2)8(11)9-7-4-10(5-7)14(3,12)13/h6-7H,4-5H2,1-3H3,(H,9,11)
InChIKeyVNQYMMRPCNJXSC-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.60
Rot. Bonds3

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

2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide (PubChem CID 70852288) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide
PubChem CID70852288
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide
SMILESCC(C)C(=O)NC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C8H16N2O3S/c1-6(2)8(11)9-7-4-10(5-7)14(3,12)13/h6-7H,4-5H2,1-3H3,(H,9,11)
InChIKeyVNQYMMRPCNJXSC-UHFFFAOYSA-N
XLogP-0.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide?
The IUPAC name of 2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide (CID 70852288) is 2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide?
The canonical SMILES for 2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide is CC(C)C(=O)NC1CN(S(C)(=O)=O)C1.
What is the InChIKey of 2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide?
The InChIKey is VNQYMMRPCNJXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-6(2)8(11)9-7-4-10(5-7)14(3,12)13/h6-7H,4-5H2,1-3H3,(H,9,11).
What are the key properties of 2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide?
2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide has a molecular weight of 220.29 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide is sourced from PubChem (CID 70852288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).