N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide

C14H18N2O4S — CID 66195367

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC2C(N)C3CCOC32)cc1
InChIInChI=1S/C14H18N2O4S/c1-21(18,19)9-4-2-8(3-5-9)14(17)16-12-11(15)10-6-7-20-13(10)12/h2-5,10-13H,6-7,15H2,1H3,(H,16,17)
InChIKeyRCWHIJFLIDYHKV-UHFFFAOYSA-N
MW310.38 g/mol
LogP-0.07
Rot. Bonds3

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide (PubChem CID 66195367) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide
PubChem CID66195367
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NC2C(N)C3CCOC32)cc1
InChIInChI=1S/C14H18N2O4S/c1-21(18,19)9-4-2-8(3-5-9)14(17)16-12-11(15)10-6-7-20-13(10)12/h2-5,10-13H,6-7,15H2,1H3,(H,16,17)
InChIKeyRCWHIJFLIDYHKV-UHFFFAOYSA-N
XLogP-0.07
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide 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 N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide (CID 66195367) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)NC2C(N)C3CCOC32)cc1.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide?
The InChIKey is RCWHIJFLIDYHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-21(18,19)9-4-2-8(3-5-9)14(17)16-12-11(15)10-6-7-20-13(10)12/h2-5,10-13H,6-7,15H2,1H3,(H,16,17).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide has a molecular weight of 310.38 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 66195367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).