4-amino-1-propylsulfonylazepan-3-one

C9H18N2O3S — CID 141047353

IUPAC4-amino-1-propylsulfonylazepan-3-one
SMILESCCCS(=O)(=O)N1CCCC(N)C(=O)C1
InChIInChI=1S/C9H18N2O3S/c1-2-6-15(13,14)11-5-3-4-8(10)9(12)7-11/h8H,2-7,10H2,1H3
InChIKeyRYTJCYQLSRHHEC-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.28
Rot. Bonds3

About 4-amino-1-propylsulfonylazepan-3-one

4-amino-1-propylsulfonylazepan-3-one (PubChem CID 141047353) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-amino-1-propylsulfonylazepan-3-one.

Molecular Properties

Compound Name4-amino-1-propylsulfonylazepan-3-one
PubChem CID141047353
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name4-amino-1-propylsulfonylazepan-3-one
SMILESCCCS(=O)(=O)N1CCCC(N)C(=O)C1
InChIInChI=1S/C9H18N2O3S/c1-2-6-15(13,14)11-5-3-4-8(10)9(12)7-11/h8H,2-7,10H2,1H3
InChIKeyRYTJCYQLSRHHEC-UHFFFAOYSA-N
XLogP-0.28
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propylsulfonylazepan-3-one?
The IUPAC name of 4-amino-1-propylsulfonylazepan-3-one (CID 141047353) is 4-amino-1-propylsulfonylazepan-3-one.
What is the SMILES notation for 4-amino-1-propylsulfonylazepan-3-one?
The canonical SMILES for 4-amino-1-propylsulfonylazepan-3-one is CCCS(=O)(=O)N1CCCC(N)C(=O)C1.
What is the InChIKey of 4-amino-1-propylsulfonylazepan-3-one?
The InChIKey is RYTJCYQLSRHHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-2-6-15(13,14)11-5-3-4-8(10)9(12)7-11/h8H,2-7,10H2,1H3.
What are the key properties of 4-amino-1-propylsulfonylazepan-3-one?
4-amino-1-propylsulfonylazepan-3-one has a molecular weight of 234.32 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propylsulfonylazepan-3-one is sourced from PubChem (CID 141047353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).