(2R)-2,3-dimethyl-N-(1-methylsulfonylazetidin-3-yl)butanamide

C10H20N2O3S — CID 59462663

IUPAC(2R)-2,3-dimethyl-N-(1-methylsulfonylazetidin-3-yl)butanamide
SMILESCC(C)[C@@H](C)C(=O)NC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C10H20N2O3S/c1-7(2)8(3)10(13)11-9-5-12(6-9)16(4,14)15/h7-9H,5-6H2,1-4H3,(H,11,13)/t8-/m1/s1
InChIKeyOMCYALLNWZOZQV-MRVPVSSYSA-N
MW248.35 g/mol
LogP0.04
Rot. Bonds4

About (2R)-2,3-dimethyl-N-(1-methylsulfonylazetidin-3-yl)butanamide

(2R)-2,3-dimethyl-N-(1-methylsulfonylazetidin-3-yl)butanamide (PubChem CID 59462663) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is (2R)-2,3-dimethyl-N-(1-methylsulfonylazetidin-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2,3-dimethyl-N-(1-methylsulfonylazetidin-3-yl)butanamide
PubChem CID59462663
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name(2R)-2,3-dimethyl-N-(1-methylsulfonylazetidin-3-yl)butanamide
SMILESCC(C)[C@@H](C)C(=O)NC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C10H20N2O3S/c1-7(2)8(3)10(13)11-9-5-12(6-9)16(4,14)15/h7-9H,5-6H2,1-4H3,(H,11,13)/t8-/m1/s1
InChIKeyOMCYALLNWZOZQV-MRVPVSSYSA-N
XLogP0.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 (2R)-2,3-dimethyl-N-(1-methylsulfonylazetidin-3-yl)butanamide?
The IUPAC name of (2R)-2,3-dimethyl-N-(1-methylsulfonylazetidin-3-yl)butanamide (CID 59462663) is (2R)-2,3-dimethyl-N-(1-methylsulfonylazetidin-3-yl)butanamide.
What is the SMILES notation for (2R)-2,3-dimethyl-N-(1-methylsulfonylazetidin-3-yl)butanamide?
The canonical SMILES for (2R)-2,3-dimethyl-N-(1-methylsulfonylazetidin-3-yl)butanamide is CC(C)[C@@H](C)C(=O)NC1CN(S(C)(=O)=O)C1.
What is the InChIKey of (2R)-2,3-dimethyl-N-(1-methylsulfonylazetidin-3-yl)butanamide?
The InChIKey is OMCYALLNWZOZQV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-7(2)8(3)10(13)11-9-5-12(6-9)16(4,14)15/h7-9H,5-6H2,1-4H3,(H,11,13)/t8-/m1/s1.
What are the key properties of (2R)-2,3-dimethyl-N-(1-methylsulfonylazetidin-3-yl)butanamide?
(2R)-2,3-dimethyl-N-(1-methylsulfonylazetidin-3-yl)butanamide has a molecular weight of 248.35 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-dimethyl-N-(1-methylsulfonylazetidin-3-yl)butanamide is sourced from PubChem (CID 59462663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).