4-cyclopentyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one

C11H20N2O3S — CID 22985033

IUPAC4-cyclopentyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one
SMILESCNC1CS(=O)(=O)CCN(C2CCCC2)C1=O
InChIInChI=1S/C11H20N2O3S/c1-12-10-8-17(15,16)7-6-13(11(10)14)9-4-2-3-5-9/h9-10,12H,2-8H2,1H3
InChIKeyOVXRFRWZWAWECP-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.23
Rot. Bonds2

About 4-cyclopentyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one

4-cyclopentyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one (PubChem CID 22985033) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-cyclopentyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one.

Molecular Properties

Compound Name4-cyclopentyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one
PubChem CID22985033
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name4-cyclopentyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one
SMILESCNC1CS(=O)(=O)CCN(C2CCCC2)C1=O
InChIInChI=1S/C11H20N2O3S/c1-12-10-8-17(15,16)7-6-13(11(10)14)9-4-2-3-5-9/h9-10,12H,2-8H2,1H3
InChIKeyOVXRFRWZWAWECP-UHFFFAOYSA-N
XLogP-0.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyclopentyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one 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 4-cyclopentyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one?
The IUPAC name of 4-cyclopentyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one (CID 22985033) is 4-cyclopentyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one.
What is the SMILES notation for 4-cyclopentyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one?
The canonical SMILES for 4-cyclopentyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one is CNC1CS(=O)(=O)CCN(C2CCCC2)C1=O.
What is the InChIKey of 4-cyclopentyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one?
The InChIKey is OVXRFRWZWAWECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-12-10-8-17(15,16)7-6-13(11(10)14)9-4-2-3-5-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 4-cyclopentyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one?
4-cyclopentyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one has a molecular weight of 260.36 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one is sourced from PubChem (CID 22985033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).