N'-(3-morpholin-4-ylpropyl)methanedisulfonamide

C8H19N3O5S2 — CID 14460429

IUPACN'-(3-morpholin-4-ylpropyl)methanedisulfonamide
SMILESNS(=O)(=O)CS(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C8H19N3O5S2/c9-17(12,13)8-18(14,15)10-2-1-3-11-4-6-16-7-5-11/h10H,1-8H2,(H2,9,12,13)
InChIKeyOOLZHASMRGUALV-UHFFFAOYSA-N
MW301.39 g/mol
LogP-2.13
Rot. Bonds7

About N'-(3-morpholin-4-ylpropyl)methanedisulfonamide

N'-(3-morpholin-4-ylpropyl)methanedisulfonamide (PubChem CID 14460429) has the molecular formula C8H19N3O5S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N'-(3-morpholin-4-ylpropyl)methanedisulfonamide.

Molecular Properties

Compound NameN'-(3-morpholin-4-ylpropyl)methanedisulfonamide
PubChem CID14460429
Molecular FormulaC8H19N3O5S2
Molecular Weight301.39 g/mol
Exact Mass301.08
IUPAC NameN'-(3-morpholin-4-ylpropyl)methanedisulfonamide
SMILESNS(=O)(=O)CS(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C8H19N3O5S2/c9-17(12,13)8-18(14,15)10-2-1-3-11-4-6-16-7-5-11/h10H,1-8H2,(H2,9,12,13)
InChIKeyOOLZHASMRGUALV-UHFFFAOYSA-N
XLogP-2.13
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-2.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholinopropyl)trifluoromethanesulfonamide
CID 20532969
N-[3-(morpholin-4-yl)propyl]methanesulfonamide
CID 3299519
N-(4-morpholin-4-ylbutyl)methanesulfonamide
CID 20656530
N-[3-(morpholin-4-yl)propyl]ethane-1-sulfonamide
CID 52448926
N-methyl-3-morpholin-4-ylpropane-1-sulfonamide
CID 57678159
N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide
CID 59833316
N-(3-morpholin-4-ylpropyl)propane-2-sulfonamide
CID 61360628
N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide
CID 67179924
2-methyl-N-(3-morpholin-4-ylpropyl)propane-1-sulfonamide
CID 68267402
N-(2-ethoxy-3-morpholin-4-ylpropyl)methanesulfonamide
CID 69191481
N-(3-morpholin-4-ylpropyl)cyclopentanesulfonamide
CID 70824815
N-methyl-1-(4-methylsulfonylmorpholin-2-yl)methanamine
CID 81685505

Frequently Asked Questions

What is the IUPAC name of N'-(3-morpholin-4-ylpropyl)methanedisulfonamide?
The IUPAC name of N'-(3-morpholin-4-ylpropyl)methanedisulfonamide (CID 14460429) is N'-(3-morpholin-4-ylpropyl)methanedisulfonamide.
What is the SMILES notation for N'-(3-morpholin-4-ylpropyl)methanedisulfonamide?
The canonical SMILES for N'-(3-morpholin-4-ylpropyl)methanedisulfonamide is NS(=O)(=O)CS(=O)(=O)NCCCN1CCOCC1.
What is the InChIKey of N'-(3-morpholin-4-ylpropyl)methanedisulfonamide?
The InChIKey is OOLZHASMRGUALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O5S2/c9-17(12,13)8-18(14,15)10-2-1-3-11-4-6-16-7-5-11/h10H,1-8H2,(H2,9,12,13).
What are the key properties of N'-(3-morpholin-4-ylpropyl)methanedisulfonamide?
N'-(3-morpholin-4-ylpropyl)methanedisulfonamide has a molecular weight of 301.39 g/mol, XLogP of -2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-morpholin-4-ylpropyl)methanedisulfonamide is sourced from PubChem (CID 14460429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).