CID 5478391

C7H14NO4S — CID 5478391

IUPAC—
SMILES[O]S(=O)(=O)CCCN1CCOCC1
InChIInChI=1S/C7H14NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2
InChIKeyCZYXJRLTZACTRT-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.53
Rot. Bonds4

About CID 5478391

CID 5478391 (PubChem CID 5478391) has the molecular formula C7H14NO4S and a molecular weight of 208.26 g/mol.

Molecular Properties

Compound NameCID 5478391
PubChem CID5478391
Molecular FormulaC7H14NO4S
Molecular Weight208.26 g/mol
Exact Mass208.06
IUPAC Name—
SMILES[O]S(=O)(=O)CCCN1CCOCC1
InChIInChI=1S/C7H14NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2
InChIKeyCZYXJRLTZACTRT-UHFFFAOYSA-N
XLogP-0.53
TPSA66.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid
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sodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate
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12-morpholin-4-yldodecane-1-sulfonic acid
CID 18415240
4-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]morpholine
CID 139839803
propylsulfonyl 3-morpholin-4-ylpropane-1-sulfonate
CID 175290511
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
bis(3-morpholin-4-ylpropyl) sulfate
CID 57165221
4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride
CID 3029441
3-morpholin-4-ylpropyl propane-1-sulfonate
CID 118072969
4-(3-bromopropyl)morpholine
CID 13034048
methyl 2-morpholin-4-ylethanesulfonate
CID 15145735

Frequently Asked Questions

What is the IUPAC name of CID 5478391?
The IUPAC name of CID 5478391 (CID 5478391) is not available.
What is the SMILES notation for CID 5478391?
The canonical SMILES for CID 5478391 is [O]S(=O)(=O)CCCN1CCOCC1.
What is the InChIKey of CID 5478391?
The InChIKey is CZYXJRLTZACTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2.
What are the key properties of CID 5478391?
CID 5478391 has a molecular weight of 208.26 g/mol, XLogP of -0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5478391 is sourced from PubChem (CID 5478391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).