2-ethyl-4-ethylsulfonyl-1,4-oxazepane

C9H19NO3S — CID 130485385

IUPAC2-ethyl-4-ethylsulfonyl-1,4-oxazepane
SMILESCCC1CN(S(=O)(=O)CC)CCCO1
InChIInChI=1S/C9H19NO3S/c1-3-9-8-10(6-5-7-13-9)14(11,12)4-2/h9H,3-8H2,1-2H3
InChIKeyFFYJTZJYTXQBRS-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.84
Rot. Bonds3

About 2-ethyl-4-ethylsulfonyl-1,4-oxazepane

2-ethyl-4-ethylsulfonyl-1,4-oxazepane (PubChem CID 130485385) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-ethyl-4-ethylsulfonyl-1,4-oxazepane.

Molecular Properties

Compound Name2-ethyl-4-ethylsulfonyl-1,4-oxazepane
PubChem CID130485385
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-ethyl-4-ethylsulfonyl-1,4-oxazepane
SMILESCCC1CN(S(=O)(=O)CC)CCCO1
InChIInChI=1S/C9H19NO3S/c1-3-9-8-10(6-5-7-13-9)14(11,12)4-2/h9H,3-8H2,1-2H3
InChIKeyFFYJTZJYTXQBRS-UHFFFAOYSA-N
XLogP0.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-ethylsulfonylmorpholine
CID 61356514
N-[2-(2-ethylmorpholin-4-yl)sulfonylethyl]propan-2-amine
CID 54972030
(2R)-2-ethyl-4-morpholin-4-ylsulfonylmorpholine
CID 95288562
(2R)-2-ethyl-N,N-dimethylmorpholine-4-sulfonamide
CID 95154399
1-(2-ethylmorpholin-4-yl)sulfonylpiperidine-2-carboxylic acid
CID 60858772
2-ethylmorpholine-4-carboxylic acid
CID 121455686
3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine
CID 81460858
3-bromo-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 80677029
2-(2-ethyl-1,4-oxazepan-4-yl)acetic acid
CID 130485509
2-chloro-1-(2-ethyl-1,4-oxazepan-4-yl)ethanone
CID 130485475
2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine
CID 130485470
2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248008

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-ethylsulfonyl-1,4-oxazepane?
The IUPAC name of 2-ethyl-4-ethylsulfonyl-1,4-oxazepane (CID 130485385) is 2-ethyl-4-ethylsulfonyl-1,4-oxazepane.
What is the SMILES notation for 2-ethyl-4-ethylsulfonyl-1,4-oxazepane?
The canonical SMILES for 2-ethyl-4-ethylsulfonyl-1,4-oxazepane is CCC1CN(S(=O)(=O)CC)CCCO1.
What is the InChIKey of 2-ethyl-4-ethylsulfonyl-1,4-oxazepane?
The InChIKey is FFYJTZJYTXQBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-9-8-10(6-5-7-13-9)14(11,12)4-2/h9H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-4-ethylsulfonyl-1,4-oxazepane?
2-ethyl-4-ethylsulfonyl-1,4-oxazepane has a molecular weight of 221.32 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-ethylsulfonyl-1,4-oxazepane is sourced from PubChem (CID 130485385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).