1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one

C14H27NO4S — CID 79065692

IUPAC1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one
SMILESCCC(C)(C(=O)CCCS(=O)(=O)CC)N1CCOCC1
InChIInChI=1S/C14H27NO4S/c1-4-14(3,15-8-10-19-11-9-15)13(16)7-6-12-20(17,18)5-2/h4-12H2,1-3H3
InChIKeyWSUWNXKORTZHGN-UHFFFAOYSA-N
MW305.44 g/mol
LogP1.27
Rot. Bonds8

About 1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one

1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one (PubChem CID 79065692) has the molecular formula C14H27NO4S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one.

Molecular Properties

Compound Name1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one
PubChem CID79065692
Molecular FormulaC14H27NO4S
Molecular Weight305.44 g/mol
Exact Mass305.17
IUPAC Name1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one
SMILESCCC(C)(C(=O)CCCS(=O)(=O)CC)N1CCOCC1
InChIInChI=1S/C14H27NO4S/c1-4-14(3,15-8-10-19-11-9-15)13(16)7-6-12-20(17,18)5-2/h4-12H2,1-3H3
InChIKeyWSUWNXKORTZHGN-UHFFFAOYSA-N
XLogP1.27
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one?
The IUPAC name of 1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one (CID 79065692) is 1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one.
What is the SMILES notation for 1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one?
The canonical SMILES for 1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one is CCC(C)(C(=O)CCCS(=O)(=O)CC)N1CCOCC1.
What is the InChIKey of 1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one?
The InChIKey is WSUWNXKORTZHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4S/c1-4-14(3,15-8-10-19-11-9-15)13(16)7-6-12-20(17,18)5-2/h4-12H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one?
1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one has a molecular weight of 305.44 g/mol, XLogP of 1.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one is sourced from PubChem (CID 79065692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).