(4S)-4-amino-1-methylsulfonylazepan-3-one

C7H14N2O3S — CID 141029017

IUPAC(4S)-4-amino-1-methylsulfonylazepan-3-one
SMILESCS(=O)(=O)N1CCC[C@H](N)C(=O)C1
InChIInChI=1S/C7H14N2O3S/c1-13(11,12)9-4-2-3-6(8)7(10)5-9/h6H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyZFMDUNSDFISJHE-LURJTMIESA-N
MW206.27 g/mol
LogP-1.06
Rot. Bonds1

About (4S)-4-amino-1-methylsulfonylazepan-3-one

(4S)-4-amino-1-methylsulfonylazepan-3-one (PubChem CID 141029017) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is (4S)-4-amino-1-methylsulfonylazepan-3-one.

Molecular Properties

Compound Name(4S)-4-amino-1-methylsulfonylazepan-3-one
PubChem CID141029017
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name(4S)-4-amino-1-methylsulfonylazepan-3-one
SMILESCS(=O)(=O)N1CCC[C@H](N)C(=O)C1
InChIInChI=1S/C7H14N2O3S/c1-13(11,12)9-4-2-3-6(8)7(10)5-9/h6H,2-5,8H2,1H3/t6-/m0/s1
InChIKeyZFMDUNSDFISJHE-LURJTMIESA-N
XLogP-1.06
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-amino-1-methylsulfonylazepan-3-one with MolForge

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

Launch Full Analysis

Related Compounds

4-Amino-1-methylsulfonylazepan-3-one
CID 18445259
N-(1-methylsulfonyl-3-oxoazepan-4-yl)formamide
CID 58824714
2-Amino-1-methylsulfonylazepan-3-one
CID 69823782
4-Amino-1-propylsulfonylazepan-3-one
CID 141047353
4-Amino-1-ethylsulfonylazepan-3-one
CID 141047357
1-Methylsulfonylazepan-3-one
CID 141096863
N-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide
CID 157480861

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-1-methylsulfonylazepan-3-one?
The IUPAC name of (4S)-4-amino-1-methylsulfonylazepan-3-one (CID 141029017) is (4S)-4-amino-1-methylsulfonylazepan-3-one.
What is the SMILES notation for (4S)-4-amino-1-methylsulfonylazepan-3-one?
The canonical SMILES for (4S)-4-amino-1-methylsulfonylazepan-3-one is CS(=O)(=O)N1CCC[C@H](N)C(=O)C1.
What is the InChIKey of (4S)-4-amino-1-methylsulfonylazepan-3-one?
The InChIKey is ZFMDUNSDFISJHE-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-13(11,12)9-4-2-3-6(8)7(10)5-9/h6H,2-5,8H2,1H3/t6-/m0/s1.
What are the key properties of (4S)-4-amino-1-methylsulfonylazepan-3-one?
(4S)-4-amino-1-methylsulfonylazepan-3-one has a molecular weight of 206.27 g/mol, XLogP of -1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-1-methylsulfonylazepan-3-one is sourced from PubChem (CID 141029017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).