1-methylsulfonyl-N-[(1S)-1-phenylethyl]azetidine-3-carboxamide

C13H18N2O3S — CID 95377115

IUPAC1-methylsulfonyl-N-[(1S)-1-phenylethyl]azetidine-3-carboxamide
SMILESC[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)c1ccccc1
InChIInChI=1S/C13H18N2O3S/c1-10(11-6-4-3-5-7-11)14-13(16)12-8-15(9-12)19(2,17)18/h3-7,10,12H,8-9H2,1-2H3,(H,14,16)/t10-/m0/s1
InChIKeyDMXHAVLZZGXCMV-JTQLQIEISA-N
MW282.36 g/mol
LogP0.76
Rot. Bonds4

About 1-methylsulfonyl-N-[(1S)-1-phenylethyl]azetidine-3-carboxamide

1-methylsulfonyl-N-[(1S)-1-phenylethyl]azetidine-3-carboxamide (PubChem CID 95377115) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(1S)-1-phenylethyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(1S)-1-phenylethyl]azetidine-3-carboxamide
PubChem CID95377115
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-methylsulfonyl-N-[(1S)-1-phenylethyl]azetidine-3-carboxamide
SMILESC[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)c1ccccc1
InChIInChI=1S/C13H18N2O3S/c1-10(11-6-4-3-5-7-11)14-13(16)12-8-15(9-12)19(2,17)18/h3-7,10,12H,8-9H2,1-2H3,(H,14,16)/t10-/m0/s1
InChIKeyDMXHAVLZZGXCMV-JTQLQIEISA-N
XLogP0.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfonyl-N-[(1S)-1-phenylethyl]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-[(1S)-1-phenylethyl]azetidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[(1S)-1-phenylethyl]azetidine-3-carboxamide (CID 95377115) is 1-methylsulfonyl-N-[(1S)-1-phenylethyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[(1S)-1-phenylethyl]azetidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[(1S)-1-phenylethyl]azetidine-3-carboxamide is C[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)c1ccccc1.
What is the InChIKey of 1-methylsulfonyl-N-[(1S)-1-phenylethyl]azetidine-3-carboxamide?
The InChIKey is DMXHAVLZZGXCMV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10(11-6-4-3-5-7-11)14-13(16)12-8-15(9-12)19(2,17)18/h3-7,10,12H,8-9H2,1-2H3,(H,14,16)/t10-/m0/s1.
What are the key properties of 1-methylsulfonyl-N-[(1S)-1-phenylethyl]azetidine-3-carboxamide?
1-methylsulfonyl-N-[(1S)-1-phenylethyl]azetidine-3-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(1S)-1-phenylethyl]azetidine-3-carboxamide is sourced from PubChem (CID 95377115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).