propane-1-sulfonic acid;4-propylmorpholine

C10H23NO4S — CID 118072968

IUPACpropane-1-sulfonic acid;4-propylmorpholine
SMILESCCCN1CCOCC1.CCCS(=O)(=O)O
InChIInChI=1S/C7H15NO.C3H8O3S/c1-2-3-8-4-6-9-7-5-8;1-2-3-7(4,5)6/h2-7H2,1H3;2-3H2,1H3,(H,4,5,6)
InChIKeyCAARJBOKZAPYSU-UHFFFAOYSA-N
MW253.36 g/mol
LogP1.01
Rot. Bonds4

About propane-1-sulfonic acid;4-propylmorpholine

propane-1-sulfonic acid;4-propylmorpholine (PubChem CID 118072968) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is propane-1-sulfonic acid;4-propylmorpholine.

Molecular Properties

Compound Namepropane-1-sulfonic acid;4-propylmorpholine
PubChem CID118072968
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC Namepropane-1-sulfonic acid;4-propylmorpholine
SMILESCCCN1CCOCC1.CCCS(=O)(=O)O
InChIInChI=1S/C7H15NO.C3H8O3S/c1-2-3-8-4-6-9-7-5-8;1-2-3-7(4,5)6/h2-7H2,1H3;2-3H2,1H3,(H,4,5,6)
InChIKeyCAARJBOKZAPYSU-UHFFFAOYSA-N
XLogP1.01
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-propylmorpholine;hydrobromide
CID 70540609
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
oxirane;propane-1-sulfonic acid
CID 161099007
ethane;4-propylmorpholine
CID 143004992
12-morpholin-4-yldodecane-1-sulfonic acid
CID 18415240
sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid
CID 172999805
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;2-morpholin-4-ylethanesulfonic acid
CID 87217926
CID 68598978
CID 68598978
dioxetane;propane-1-sulfonic acid
CID 87756026
1-morpholin-4-ylpropane-1-sulfonic acid;3-morpholin-4-ylpropane-1-sulfonic acid
CID 175062577
propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate
CID 175290511
ethyl acetate;4-propylmorpholine
CID 160534633

Frequently Asked Questions

What is the IUPAC name of propane-1-sulfonic acid;4-propylmorpholine?
The IUPAC name of propane-1-sulfonic acid;4-propylmorpholine (CID 118072968) is propane-1-sulfonic acid;4-propylmorpholine.
What is the SMILES notation for propane-1-sulfonic acid;4-propylmorpholine?
The canonical SMILES for propane-1-sulfonic acid;4-propylmorpholine is CCCN1CCOCC1.CCCS(=O)(=O)O.
What is the InChIKey of propane-1-sulfonic acid;4-propylmorpholine?
The InChIKey is CAARJBOKZAPYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C3H8O3S/c1-2-3-8-4-6-9-7-5-8;1-2-3-7(4,5)6/h2-7H2,1H3;2-3H2,1H3,(H,4,5,6).
What are the key properties of propane-1-sulfonic acid;4-propylmorpholine?
propane-1-sulfonic acid;4-propylmorpholine has a molecular weight of 253.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1-sulfonic acid;4-propylmorpholine is sourced from PubChem (CID 118072968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).