2-morpholin-4-ylsulfonylpropane-2-sulfonic acid

C7H15NO6S2 — CID 126656739

IUPAC2-morpholin-4-ylsulfonylpropane-2-sulfonic acid
SMILESCC(C)(S(=O)(=O)O)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H15NO6S2/c1-7(2,16(11,12)13)15(9,10)8-3-5-14-6-4-8/h3-6H2,1-2H3,(H,11,12,13)
InChIKeyQIGUCYMXALEZDJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.73
Rot. Bonds3

About 2-morpholin-4-ylsulfonylpropane-2-sulfonic acid

2-morpholin-4-ylsulfonylpropane-2-sulfonic acid (PubChem CID 126656739) has the molecular formula C7H15NO6S2 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-morpholin-4-ylsulfonylpropane-2-sulfonic acid.

Molecular Properties

Compound Name2-morpholin-4-ylsulfonylpropane-2-sulfonic acid
PubChem CID126656739
Molecular FormulaC7H15NO6S2
Molecular Weight273.33 g/mol
Exact Mass273.03
IUPAC Name2-morpholin-4-ylsulfonylpropane-2-sulfonic acid
SMILESCC(C)(S(=O)(=O)O)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H15NO6S2/c1-7(2,16(11,12)13)15(9,10)8-3-5-14-6-4-8/h3-6H2,1-2H3,(H,11,12,13)
InChIKeyQIGUCYMXALEZDJ-UHFFFAOYSA-N
XLogP-0.73
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-2,3-dimethyl-3-morpholin-4-ylsulfonylpentane-2-sulfonic acid
CID 126656707
4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine
CID 139452580
4-(2-methylpentan-2-ylsulfonyl)morpholine
CID 138601822
4-methylmorpholine;sulfuric acid
CID 146295231
ethane;ethanesulfonic acid;morpholine-4-sulfonic acid
CID 175108255
2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone
CID 1356929
3-morpholin-4-ylpentane-3-sulfonic acid
CID 141453973
4,4-difluoro-3-methyl-5-morpholin-4-ylsulfonylheptane-3-sulfonic acid
CID 89233419
2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid
CID 10130749
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 2235310
N,N-bis(trimethylsilyl)morpholine-4-sulfonamide
CID 71399815
4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine
CID 118333607

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylsulfonylpropane-2-sulfonic acid?
The IUPAC name of 2-morpholin-4-ylsulfonylpropane-2-sulfonic acid (CID 126656739) is 2-morpholin-4-ylsulfonylpropane-2-sulfonic acid.
What is the SMILES notation for 2-morpholin-4-ylsulfonylpropane-2-sulfonic acid?
The canonical SMILES for 2-morpholin-4-ylsulfonylpropane-2-sulfonic acid is CC(C)(S(=O)(=O)O)S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylsulfonylpropane-2-sulfonic acid?
The InChIKey is QIGUCYMXALEZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO6S2/c1-7(2,16(11,12)13)15(9,10)8-3-5-14-6-4-8/h3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 2-morpholin-4-ylsulfonylpropane-2-sulfonic acid?
2-morpholin-4-ylsulfonylpropane-2-sulfonic acid has a molecular weight of 273.33 g/mol, XLogP of -0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylsulfonylpropane-2-sulfonic acid is sourced from PubChem (CID 126656739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).