4-amino-1-ethylsulfonylazepan-3-one

C8H16N2O3S — CID 141047357

IUPAC4-amino-1-ethylsulfonylazepan-3-one
SMILESCCS(=O)(=O)N1CCCC(N)C(=O)C1
InChIInChI=1S/C8H16N2O3S/c1-2-14(12,13)10-5-3-4-7(9)8(11)6-10/h7H,2-6,9H2,1H3
InChIKeyGBOXUDFMFDSNQR-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.67
Rot. Bonds2

About 4-amino-1-ethylsulfonylazepan-3-one

4-amino-1-ethylsulfonylazepan-3-one (PubChem CID 141047357) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-amino-1-ethylsulfonylazepan-3-one.

Molecular Properties

Compound Name4-amino-1-ethylsulfonylazepan-3-one
PubChem CID141047357
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name4-amino-1-ethylsulfonylazepan-3-one
SMILESCCS(=O)(=O)N1CCCC(N)C(=O)C1
InChIInChI=1S/C8H16N2O3S/c1-2-14(12,13)10-5-3-4-7(9)8(11)6-10/h7H,2-6,9H2,1H3
InChIKeyGBOXUDFMFDSNQR-UHFFFAOYSA-N
XLogP-0.67
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-1-methylsulfonylazepan-3-one
CID 18445259
N-(3-oxo-1-propan-2-ylsulfonylazepan-4-yl)formamide
CID 21031052
N-[(5S)-5-(methylamino)-6-oxoheptyl]ethanesulfonamide
CID 59709967
1-Propylsulfonylazepan-3-one
CID 91803115
(4S)-4-amino-1-methylsulfonylazepan-3-one
CID 141029017
4-Amino-1-propylsulfonylazepan-3-one
CID 141047353
N-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide
CID 157480861
4-Oxo-5-(propan-2-ylamino)pentane-1-sulfonamide
CID 159378545
methane;N-[(5S)-5-(methylamino)-6-oxoheptyl]ethanesulfonamide
CID 161075660
1-[1-[2-(Propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]ethanone
CID 170366613
4-methyl-N-[(4S)-3-oxo-1-propylsulfonylazepan-4-yl]pentanamide
CID 173158716
N-[(4S)-1-ethylsulfonyl-3-oxoazepan-4-yl]-4-methylpentanamide
CID 173158742

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethylsulfonylazepan-3-one?
The IUPAC name of 4-amino-1-ethylsulfonylazepan-3-one (CID 141047357) is 4-amino-1-ethylsulfonylazepan-3-one.
What is the SMILES notation for 4-amino-1-ethylsulfonylazepan-3-one?
The canonical SMILES for 4-amino-1-ethylsulfonylazepan-3-one is CCS(=O)(=O)N1CCCC(N)C(=O)C1.
What is the InChIKey of 4-amino-1-ethylsulfonylazepan-3-one?
The InChIKey is GBOXUDFMFDSNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-2-14(12,13)10-5-3-4-7(9)8(11)6-10/h7H,2-6,9H2,1H3.
What are the key properties of 4-amino-1-ethylsulfonylazepan-3-one?
4-amino-1-ethylsulfonylazepan-3-one has a molecular weight of 220.29 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethylsulfonylazepan-3-one is sourced from PubChem (CID 141047357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).