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

C9H18N2O3S — CID 138636595

IUPAC2-methyl-N-(1-methylsulfonylazetidin-3-yl)butanamide
SMILESCCC(C)C(=O)NC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C9H18N2O3S/c1-4-7(2)9(12)10-8-5-11(6-8)15(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyKZNAMVOSTNBONC-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.21
Rot. Bonds4

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

2-methyl-N-(1-methylsulfonylazetidin-3-yl)butanamide (PubChem CID 138636595) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-methyl-N-(1-methylsulfonylazetidin-3-yl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylsulfonylazetidin-3-yl)butanamide
PubChem CID138636595
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name2-methyl-N-(1-methylsulfonylazetidin-3-yl)butanamide
SMILESCCC(C)C(=O)NC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C9H18N2O3S/c1-4-7(2)9(12)10-8-5-11(6-8)15(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyKZNAMVOSTNBONC-UHFFFAOYSA-N
XLogP-0.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.21
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)butanamide?
The IUPAC name of 2-methyl-N-(1-methylsulfonylazetidin-3-yl)butanamide (CID 138636595) is 2-methyl-N-(1-methylsulfonylazetidin-3-yl)butanamide.
What is the SMILES notation for 2-methyl-N-(1-methylsulfonylazetidin-3-yl)butanamide?
The canonical SMILES for 2-methyl-N-(1-methylsulfonylazetidin-3-yl)butanamide is CCC(C)C(=O)NC1CN(S(C)(=O)=O)C1.
What is the InChIKey of 2-methyl-N-(1-methylsulfonylazetidin-3-yl)butanamide?
The InChIKey is KZNAMVOSTNBONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-4-7(2)9(12)10-8-5-11(6-8)15(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 2-methyl-N-(1-methylsulfonylazetidin-3-yl)butanamide?
2-methyl-N-(1-methylsulfonylazetidin-3-yl)butanamide has a molecular weight of 234.32 g/mol, XLogP of -0.21, 4 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)butanamide is sourced from PubChem (CID 138636595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).