ethane;ethanesulfonic acid;morpholine-4-sulfonic acid

C8H21NO7S2 — CID 175108255

IUPACethane;ethanesulfonic acid;morpholine-4-sulfonic acid
SMILESCC.CCS(=O)(=O)O.O=S(=O)(O)N1CCOCC1
InChIInChI=1S/C4H9NO4S.C2H6O3S.C2H6/c6-10(7,8)5-1-3-9-4-2-5;1-2-6(3,4)5;1-2/h1-4H2,(H,6,7,8);2H2,1H3,(H,3,4,5);1-2H3
InChIKeyRTDWEFLCNXLBAB-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.04
Rot. Bonds2

About ethane;ethanesulfonic acid;morpholine-4-sulfonic acid

ethane;ethanesulfonic acid;morpholine-4-sulfonic acid (PubChem CID 175108255) has the molecular formula C8H21NO7S2 and a molecular weight of 307.39 g/mol. Its IUPAC name is ethane;ethanesulfonic acid;morpholine-4-sulfonic acid.

Molecular Properties

Compound Nameethane;ethanesulfonic acid;morpholine-4-sulfonic acid
PubChem CID175108255
Molecular FormulaC8H21NO7S2
Molecular Weight307.39 g/mol
Exact Mass307.08
IUPAC Nameethane;ethanesulfonic acid;morpholine-4-sulfonic acid
SMILESCC.CCS(=O)(=O)O.O=S(=O)(O)N1CCOCC1
InChIInChI=1S/C4H9NO4S.C2H6O3S.C2H6/c6-10(7,8)5-1-3-9-4-2-5;1-2-6(3,4)5;1-2/h1-4H2,(H,6,7,8);2H2,1H3,(H,3,4,5);1-2H3
InChIKeyRTDWEFLCNXLBAB-UHFFFAOYSA-N
XLogP0.04
TPSA121.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methylmorpholine;sulfuric acid
CID 146295231
propane-1-sulfonic acid;4-propylmorpholine
CID 118072968
2-morpholin-4-ylsulfonylpropane-2-sulfonic acid
CID 126656739
2-(methylamino)ethanesulfonic acid;4-methylmorpholine
CID 157164072
3-morpholin-4-ylpentane-3-sulfonic acid
CID 141453973
N-[(2S)-butan-2-yl]morpholine-4-sulfonamide
CID 95135939
1-fluoro-2,3-dimethyl-3-morpholin-4-ylsulfonylpentane-2-sulfonic acid
CID 126656707
sodium;ethanesulfonic acid;morpholine;chloride
CID 175170062
2-hydroxy-2-morpholin-4-ylpropane-1-sulfonic acid
CID 10130749
4-propylsulfonyl-1,4-oxazepane
CID 62067172
4-(2-methylpentan-2-ylsulfonyl)morpholine
CID 138601822
4-(2-methylsulfonylethylsulfonyl)morpholine
CID 64591555

Frequently Asked Questions

What is the IUPAC name of ethane;ethanesulfonic acid;morpholine-4-sulfonic acid?
The IUPAC name of ethane;ethanesulfonic acid;morpholine-4-sulfonic acid (CID 175108255) is ethane;ethanesulfonic acid;morpholine-4-sulfonic acid.
What is the SMILES notation for ethane;ethanesulfonic acid;morpholine-4-sulfonic acid?
The canonical SMILES for ethane;ethanesulfonic acid;morpholine-4-sulfonic acid is CC.CCS(=O)(=O)O.O=S(=O)(O)N1CCOCC1.
What is the InChIKey of ethane;ethanesulfonic acid;morpholine-4-sulfonic acid?
The InChIKey is RTDWEFLCNXLBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4S.C2H6O3S.C2H6/c6-10(7,8)5-1-3-9-4-2-5;1-2-6(3,4)5;1-2/h1-4H2,(H,6,7,8);2H2,1H3,(H,3,4,5);1-2H3.
What are the key properties of ethane;ethanesulfonic acid;morpholine-4-sulfonic acid?
ethane;ethanesulfonic acid;morpholine-4-sulfonic acid has a molecular weight of 307.39 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanesulfonic acid;morpholine-4-sulfonic acid is sourced from PubChem (CID 175108255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).