4-butylsulfonylmorpholine

C8H17NO3S — CID 6465074

IUPAC4-butylsulfonylmorpholine
SMILESCCCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H17NO3S/c1-2-3-8-13(10,11)9-4-6-12-7-5-9/h2-8H2,1H3
InChIKeyBBDZERAHFLRJHU-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.45
Rot. Bonds4

About 4-butylsulfonylmorpholine

4-butylsulfonylmorpholine (PubChem CID 6465074) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-butylsulfonylmorpholine.

Molecular Properties

Compound Name4-butylsulfonylmorpholine
PubChem CID6465074
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name4-butylsulfonylmorpholine
SMILESCCCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H17NO3S/c1-2-3-8-13(10,11)9-4-6-12-7-5-9/h2-8H2,1H3
InChIKeyBBDZERAHFLRJHU-UHFFFAOYSA-N
XLogP0.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methanesulfonylmorpholine
CID 519344
4-(2-Methylsulfonylethyl)morpholine
CID 22278680
4-(Ethylsulfonyl)morpholine
CID 4071453
4-(2-Methoxyethanesulfonyl)morpholine
CID 61694271
4-[(2S,3R)-3-methyloxiran-2-yl]sulfonylmorpholine
CID 71450985
4-[(2S,3S)-3-methyloxiran-2-yl]sulfonylmorpholine
CID 71461683
4-(Ethylsulfonyl)-2,6-dimethylmorpholine
CID 303121
3-(N-morpholino)propanesulfonate
CID 3830057
2-(((2R,6S)-2,6-dimethylmorpholin-4-yl)sulfonyl)ethan-1-ol
CID 104959533
Morpholino propane-sulfonate
CID 18968162
4-Propan-2-ylsulfonylmorpholine
CID 22980234
4-(Propylsulfonyl)morpholine
CID 60643321

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfonylmorpholine?
The IUPAC name of 4-butylsulfonylmorpholine (CID 6465074) is 4-butylsulfonylmorpholine.
What is the SMILES notation for 4-butylsulfonylmorpholine?
The canonical SMILES for 4-butylsulfonylmorpholine is CCCCS(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-butylsulfonylmorpholine?
The InChIKey is BBDZERAHFLRJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-3-8-13(10,11)9-4-6-12-7-5-9/h2-8H2,1H3.
What are the key properties of 4-butylsulfonylmorpholine?
4-butylsulfonylmorpholine has a molecular weight of 207.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfonylmorpholine is sourced from PubChem (CID 6465074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).