4-amino-1-methylsulfonylazepan-3-one

C7H14N2O3S — CID 18445259

IUPAC4-amino-1-methylsulfonylazepan-3-one
SMILESCS(=O)(=O)N1CCCC(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
InChIKeyZFMDUNSDFISJHE-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.06
Rot. Bonds1

About 4-amino-1-methylsulfonylazepan-3-one

4-amino-1-methylsulfonylazepan-3-one (PubChem CID 18445259) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-amino-1-methylsulfonylazepan-3-one.

Molecular Properties

Compound Name4-amino-1-methylsulfonylazepan-3-one
PubChem CID18445259
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name4-amino-1-methylsulfonylazepan-3-one
SMILESCS(=O)(=O)N1CCCC(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
InChIKeyZFMDUNSDFISJHE-UHFFFAOYSA-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

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Related Compounds

4-amino-1-ethylsulfonylazepan-3-one
CID 141047357
1-methylsulfonyl-3-oxoazepane-4-carboxamide
CID 174450560
4-amino-1-(3,4-dichlorophenyl)sulfonylazepan-3-one
CID 18445248
2-(4-amino-3-oxoazepan-1-yl)sulfonylbenzonitrile
CID 18445246
N-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide
CID 157480861
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
3,3-dimethyl-1-methylsulfonylpiperidin-4-amine
CID 115269791
4-amino-1-methylsulfonylazepane-3-carbaldehyde
CID 174429979
ethane;2-methylsulfonyl-1,3,4,5-tetrahydro-2-benzazepin-5-amine
CID 90731273
5-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-one
CID 79623267
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
(3S)-3-amino-1-methylpiperidin-2-one
CID 67416126

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylsulfonylazepan-3-one?
The IUPAC name of 4-amino-1-methylsulfonylazepan-3-one (CID 18445259) is 4-amino-1-methylsulfonylazepan-3-one.
What is the SMILES notation for 4-amino-1-methylsulfonylazepan-3-one?
The canonical SMILES for 4-amino-1-methylsulfonylazepan-3-one is CS(=O)(=O)N1CCCC(N)C(=O)C1.
What is the InChIKey of 4-amino-1-methylsulfonylazepan-3-one?
The InChIKey is ZFMDUNSDFISJHE-UHFFFAOYSA-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.
What are the key properties of 4-amino-1-methylsulfonylazepan-3-one?
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 4-amino-1-methylsulfonylazepan-3-one is sourced from PubChem (CID 18445259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).