cyclopropyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone

C11H20N2O3S — CID 53016321

IUPACcyclopropyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
SMILESCCS(=O)(=O)N1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C11H20N2O3S/c1-2-17(15,16)13-7-3-6-12(8-9-13)11(14)10-4-5-10/h10H,2-9H2,1H3
InChIKeyIERKPGBHUCVQGK-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.28
Rot. Bonds3

About cyclopropyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone

cyclopropyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone (PubChem CID 53016321) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is cyclopropyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
PubChem CID53016321
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Namecyclopropyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
SMILESCCS(=O)(=O)N1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C11H20N2O3S/c1-2-17(15,16)13-7-3-6-12(8-9-13)11(14)10-4-5-10/h10H,2-9H2,1H3
InChIKeyIERKPGBHUCVQGK-UHFFFAOYSA-N
XLogP0.28
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone 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 cyclopropyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of cyclopropyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone (CID 53016321) is cyclopropyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for cyclopropyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone is CCS(=O)(=O)N1CCCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone?
The InChIKey is IERKPGBHUCVQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-2-17(15,16)13-7-3-6-12(8-9-13)11(14)10-4-5-10/h10H,2-9H2,1H3.
What are the key properties of cyclopropyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone?
cyclopropyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone has a molecular weight of 260.36 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 53016321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).