1-morpholin-4-yl-10-propan-2-ylsulfonyldecan-5-one

C17H33NO4S — CID 58144026

IUPAC1-morpholin-4-yl-10-propan-2-ylsulfonyldecan-5-one
SMILESCC(C)S(=O)(=O)CCCCCC(=O)CCCCN1CCOCC1
InChIInChI=1S/C17H33NO4S/c1-16(2)23(20,21)15-7-3-4-8-17(19)9-5-6-10-18-11-13-22-14-12-18/h16H,3-15H2,1-2H3
InChIKeyWLFIBRPOXPFGRZ-UHFFFAOYSA-N
MW347.52 g/mol
LogP2.44
Rot. Bonds12

About 1-morpholin-4-yl-10-propan-2-ylsulfonyldecan-5-one

1-morpholin-4-yl-10-propan-2-ylsulfonyldecan-5-one (PubChem CID 58144026) has the molecular formula C17H33NO4S and a molecular weight of 347.52 g/mol. Its IUPAC name is 1-morpholin-4-yl-10-propan-2-ylsulfonyldecan-5-one.

Molecular Properties

Compound Name1-morpholin-4-yl-10-propan-2-ylsulfonyldecan-5-one
PubChem CID58144026
Molecular FormulaC17H33NO4S
Molecular Weight347.52 g/mol
Exact Mass347.21
IUPAC Name1-morpholin-4-yl-10-propan-2-ylsulfonyldecan-5-one
SMILESCC(C)S(=O)(=O)CCCCCC(=O)CCCCN1CCOCC1
InChIInChI=1S/C17H33NO4S/c1-16(2)23(20,21)15-7-3-4-8-17(19)9-5-6-10-18-11-13-22-14-12-18/h16H,3-15H2,1-2H3
InChIKeyWLFIBRPOXPFGRZ-UHFFFAOYSA-N
XLogP2.44
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.52
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-10-propan-2-ylsulfonyldecan-5-one?
The IUPAC name of 1-morpholin-4-yl-10-propan-2-ylsulfonyldecan-5-one (CID 58144026) is 1-morpholin-4-yl-10-propan-2-ylsulfonyldecan-5-one.
What is the SMILES notation for 1-morpholin-4-yl-10-propan-2-ylsulfonyldecan-5-one?
The canonical SMILES for 1-morpholin-4-yl-10-propan-2-ylsulfonyldecan-5-one is CC(C)S(=O)(=O)CCCCCC(=O)CCCCN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-10-propan-2-ylsulfonyldecan-5-one?
The InChIKey is WLFIBRPOXPFGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4S/c1-16(2)23(20,21)15-7-3-4-8-17(19)9-5-6-10-18-11-13-22-14-12-18/h16H,3-15H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-10-propan-2-ylsulfonyldecan-5-one?
1-morpholin-4-yl-10-propan-2-ylsulfonyldecan-5-one has a molecular weight of 347.52 g/mol, XLogP of 2.44, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-10-propan-2-ylsulfonyldecan-5-one is sourced from PubChem (CID 58144026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).