propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate

C10H21NO6S2 — CID 175290511

IUPACpropylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate
SMILESCCCS(=O)(=O)OS(=O)(=O)CCCN1CCOCC1
InChIInChI=1S/C10H21NO6S2/c1-2-9-18(12,13)17-19(14,15)10-3-4-11-5-7-16-8-6-11/h2-10H2,1H3
InChIKeyDZWCYXLCOSZKOC-UHFFFAOYSA-N
MW315.41 g/mol
LogP-0.21
Rot. Bonds8

About propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate

propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate (PubChem CID 175290511) has the molecular formula C10H21NO6S2 and a molecular weight of 315.41 g/mol. Its IUPAC name is propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate.

Molecular Properties

Compound Namepropylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate
PubChem CID175290511
Molecular FormulaC10H21NO6S2
Molecular Weight315.41 g/mol
Exact Mass315.08
IUPAC Namepropylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate
SMILESCCCS(=O)(=O)OS(=O)(=O)CCCN1CCOCC1
InChIInChI=1S/C10H21NO6S2/c1-2-9-18(12,13)17-19(14,15)10-3-4-11-5-7-16-8-6-11/h2-10H2,1H3
InChIKeyDZWCYXLCOSZKOC-UHFFFAOYSA-N
XLogP-0.21
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-morpholin-4-ylpropyl propane-1-sulfonate
CID 118072969
CID 5478391
CID 5478391
propane-1-sulfonic acid;4-propylmorpholine
CID 118072968
butane;4-butylmorpholine
CID 177152600
methyl 2-morpholin-4-ylethanesulfonate
CID 15145735
sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid
CID 172999805
iron(3+);tris(3-morpholin-4-ylpropane-1-sulfonate)
CID 158409877
sodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate
CID 43833364
4-hexylmorpholine
CID 3614751
12-morpholin-4-yldodecane-1-sulfonic acid
CID 18415240
bis(3-morpholin-4-ylpropyl) sulfate
CID 57165221
4-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]morpholine
CID 139839803

Frequently Asked Questions

What is the IUPAC name of propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate?
The IUPAC name of propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate (CID 175290511) is propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate.
What is the SMILES notation for propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate?
The canonical SMILES for propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate is CCCS(=O)(=O)OS(=O)(=O)CCCN1CCOCC1.
What is the InChIKey of propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate?
The InChIKey is DZWCYXLCOSZKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO6S2/c1-2-9-18(12,13)17-19(14,15)10-3-4-11-5-7-16-8-6-11/h2-10H2,1H3.
What are the key properties of propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate?
propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate has a molecular weight of 315.41 g/mol, XLogP of -0.21, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate is sourced from PubChem (CID 175290511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).