1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide

C11H22N2O3S — CID 90513001

IUPAC1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide
SMILESCC(C)N(C(=O)C1CN(S(C)(=O)=O)C1)C(C)C
InChIInChI=1S/C11H22N2O3S/c1-8(2)13(9(3)4)11(14)10-6-12(7-10)17(5,15)16/h8-10H,6-7H2,1-5H3
InChIKeyWYAGAHONZNLFON-UHFFFAOYSA-N
MW262.38 g/mol
LogP0.52
Rot. Bonds4

About 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide

1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide (PubChem CID 90513001) has the molecular formula C11H22N2O3S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide
PubChem CID90513001
Molecular FormulaC11H22N2O3S
Molecular Weight262.38 g/mol
Exact Mass262.14
IUPAC Name1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide
SMILESCC(C)N(C(=O)C1CN(S(C)(=O)=O)C1)C(C)C
InChIInChI=1S/C11H22N2O3S/c1-8(2)13(9(3)4)11(14)10-6-12(7-10)17(5,15)16/h8-10H,6-7H2,1-5H3
InChIKeyWYAGAHONZNLFON-UHFFFAOYSA-N
XLogP0.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide (CID 90513001) is 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide is CC(C)N(C(=O)C1CN(S(C)(=O)=O)C1)C(C)C.
What is the InChIKey of 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide?
The InChIKey is WYAGAHONZNLFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-8(2)13(9(3)4)11(14)10-6-12(7-10)17(5,15)16/h8-10H,6-7H2,1-5H3.
What are the key properties of 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide?
1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 90513001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).