thiomorpholin-4-yl thiomorpholin-4-yloxysulfonyl sulfate

C8H16N2O7S4 — CID 142709456

IUPACthiomorpholin-4-yl thiomorpholin-4-yloxysulfonyl sulfate
SMILESO=S(=O)(ON1CCSCC1)OS(=O)(=O)ON1CCSCC1
InChIInChI=1S/C8H16N2O7S4/c11-20(12,15-9-1-5-18-6-2-9)17-21(13,14)16-10-3-7-19-8-4-10/h1-8H2
InChIKeyXRFMLRPCCAJWJM-UHFFFAOYSA-N
MW380.49 g/mol
LogP-0.55
Rot. Bonds6

About thiomorpholin-4-yl thiomorpholin-4-yloxysulfonyl sulfate

thiomorpholin-4-yl thiomorpholin-4-yloxysulfonyl sulfate (PubChem CID 142709456) has the molecular formula C8H16N2O7S4 and a molecular weight of 380.49 g/mol. Its IUPAC name is thiomorpholin-4-yl thiomorpholin-4-yloxysulfonyl sulfate.

Molecular Properties

Compound Namethiomorpholin-4-yl thiomorpholin-4-yloxysulfonyl sulfate
PubChem CID142709456
Molecular FormulaC8H16N2O7S4
Molecular Weight380.49 g/mol
Exact Mass379.98
IUPAC Namethiomorpholin-4-yl thiomorpholin-4-yloxysulfonyl sulfate
SMILESO=S(=O)(ON1CCSCC1)OS(=O)(=O)ON1CCSCC1
InChIInChI=1S/C8H16N2O7S4/c11-20(12,15-9-1-5-18-6-2-9)17-21(13,14)16-10-3-7-19-8-4-10/h1-8H2
InChIKeyXRFMLRPCCAJWJM-UHFFFAOYSA-N
XLogP-0.55
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

thiomorpholine-4-sulfonic acid
CID 68633206
4-ethoxythiomorpholine
CID 69240675
N,N-dimethylthiomorpholine-4-sulfonamide
CID 59786661
tert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane
CID 164644449
N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide
CID 113234769
iodo(trithiomorpholin-4-yl)-λ4-sulfane
CID 131966374
thiomorpholin-4-ylsulfonylcarbamic acid
CID 68549835
propan-2-yl 2-thiomorpholin-4-ylethanesulfonate
CID 140941096
4-methylthiomorpholine
CID 523249
N-ethyl-N-methylthiomorpholine-4-sulfonamide
CID 58831796
4-(chloromethylsulfonyl)-1,4-thiazepane
CID 63666027
[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methanamine
CID 66375813

Frequently Asked Questions

What is the IUPAC name of thiomorpholin-4-yl thiomorpholin-4-yloxysulfonyl sulfate?
The IUPAC name of thiomorpholin-4-yl thiomorpholin-4-yloxysulfonyl sulfate (CID 142709456) is thiomorpholin-4-yl thiomorpholin-4-yloxysulfonyl sulfate.
What is the SMILES notation for thiomorpholin-4-yl thiomorpholin-4-yloxysulfonyl sulfate?
The canonical SMILES for thiomorpholin-4-yl thiomorpholin-4-yloxysulfonyl sulfate is O=S(=O)(ON1CCSCC1)OS(=O)(=O)ON1CCSCC1.
What is the InChIKey of thiomorpholin-4-yl thiomorpholin-4-yloxysulfonyl sulfate?
The InChIKey is XRFMLRPCCAJWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O7S4/c11-20(12,15-9-1-5-18-6-2-9)17-21(13,14)16-10-3-7-19-8-4-10/h1-8H2.
What are the key properties of thiomorpholin-4-yl thiomorpholin-4-yloxysulfonyl sulfate?
thiomorpholin-4-yl thiomorpholin-4-yloxysulfonyl sulfate has a molecular weight of 380.49 g/mol, XLogP of -0.55, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-4-yl thiomorpholin-4-yloxysulfonyl sulfate is sourced from PubChem (CID 142709456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).