propan-2-yl morpholine-4-sulfonate

C7H15NO4S — CID 58928705

IUPACpropan-2-yl morpholine-4-sulfonate
SMILESCC(C)OS(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H15NO4S/c1-7(2)12-13(9,10)8-3-5-11-6-4-8/h7H,3-6H2,1-2H3
InChIKeyFPSFQNIJGWEWJE-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.01
Rot. Bonds3

About propan-2-yl morpholine-4-sulfonate

propan-2-yl morpholine-4-sulfonate (PubChem CID 58928705) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is propan-2-yl morpholine-4-sulfonate.

Molecular Properties

Compound Namepropan-2-yl morpholine-4-sulfonate
PubChem CID58928705
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Namepropan-2-yl morpholine-4-sulfonate
SMILESCC(C)OS(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H15NO4S/c1-7(2)12-13(9,10)8-3-5-11-6-4-8/h7H,3-6H2,1-2H3
InChIKeyFPSFQNIJGWEWJE-UHFFFAOYSA-N
XLogP-0.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758270
propan-2-yl 3-morpholin-4-ylsulfonylpropanoate
CID 112724899
N-[(2S)-butan-2-yl]morpholine-4-sulfonamide
CID 95135939
5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline
CID 3868598
propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 43004454
4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758210
4-(3-chloro-2-methylpropyl)sulfonylmorpholine
CID 79579785
1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone
CID 118477196
4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane
CID 176665368
N,N-bis(trimethylsilyl)morpholine-4-sulfonamide
CID 71399815
4-methylmorpholine;sulfuric acid
CID 146295231
(4-chlorophenyl) morpholine-4-sulfonate
CID 3680578

Frequently Asked Questions

What is the IUPAC name of propan-2-yl morpholine-4-sulfonate?
The IUPAC name of propan-2-yl morpholine-4-sulfonate (CID 58928705) is propan-2-yl morpholine-4-sulfonate.
What is the SMILES notation for propan-2-yl morpholine-4-sulfonate?
The canonical SMILES for propan-2-yl morpholine-4-sulfonate is CC(C)OS(=O)(=O)N1CCOCC1.
What is the InChIKey of propan-2-yl morpholine-4-sulfonate?
The InChIKey is FPSFQNIJGWEWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-7(2)12-13(9,10)8-3-5-11-6-4-8/h7H,3-6H2,1-2H3.
What are the key properties of propan-2-yl morpholine-4-sulfonate?
propan-2-yl morpholine-4-sulfonate has a molecular weight of 209.27 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl morpholine-4-sulfonate is sourced from PubChem (CID 58928705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).