3-(dimethylamino)propylsulfamoylmethanesulfonic acid

C6H16N2O5S2 — CID 20665353

IUPAC3-(dimethylamino)propylsulfamoylmethanesulfonic acid
SMILESCN(C)CCCNS(=O)(=O)CS(=O)(=O)O
InChIInChI=1S/C6H16N2O5S2/c1-8(2)5-3-4-7-14(9,10)6-15(11,12)13/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyHIVXJALCLOGLFN-UHFFFAOYSA-N
MW260.34 g/mol
LogP-1.30
Rot. Bonds7

About 3-(dimethylamino)propylsulfamoylmethanesulfonic acid

3-(dimethylamino)propylsulfamoylmethanesulfonic acid (PubChem CID 20665353) has the molecular formula C6H16N2O5S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(dimethylamino)propylsulfamoylmethanesulfonic acid.

Molecular Properties

Compound Name3-(dimethylamino)propylsulfamoylmethanesulfonic acid
PubChem CID20665353
Molecular FormulaC6H16N2O5S2
Molecular Weight260.34 g/mol
Exact Mass260.05
IUPAC Name3-(dimethylamino)propylsulfamoylmethanesulfonic acid
SMILESCN(C)CCCNS(=O)(=O)CS(=O)(=O)O
InChIInChI=1S/C6H16N2O5S2/c1-8(2)5-3-4-7-14(9,10)6-15(11,12)13/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyHIVXJALCLOGLFN-UHFFFAOYSA-N
XLogP-1.30
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-N-ethylmethanesulfonamide
CID 23010540
3-(Fluorosulfonylamino)propyl-dimethyl-(sulfomethyl)azanium
CID 130266684
[3-(Fluorosulfonylamino)propyl-dimethylazaniumyl]methanesulfonate
CID 140799762
Methanesulfonamide, N-[3-(diethylamino)propyl]-
CID 3330231
N-[3-(dimethylamino)propyl]methanesulfonamide
CID 4649199
3-(Methanesulfonamido)propyl-trimethylazanium
CID 18725235
1,5,9-Triazacyclododec-1-ylmethanedisulfonic acid
CID 19930393
3-(Diethylamino)propylsulfamoylmethanesulfonic acid
CID 21049568
N-[4-(dimethylamino)butyl]methanesulfonamide
CID 21685273
N,N'-bis[3-(diethylamino)propyl]methanedisulfonamide
CID 58113233
3-[3-(Methanesulfonamido)propyl-(3-sulfopropyl)amino]propane-1-sulfonic acid
CID 58792545
2-[3-(Methanesulfonamido)propyl-(2-sulfoethyl)amino]ethanesulfonic acid
CID 58858817

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propylsulfamoylmethanesulfonic acid?
The IUPAC name of 3-(dimethylamino)propylsulfamoylmethanesulfonic acid (CID 20665353) is 3-(dimethylamino)propylsulfamoylmethanesulfonic acid.
What is the SMILES notation for 3-(dimethylamino)propylsulfamoylmethanesulfonic acid?
The canonical SMILES for 3-(dimethylamino)propylsulfamoylmethanesulfonic acid is CN(C)CCCNS(=O)(=O)CS(=O)(=O)O.
What is the InChIKey of 3-(dimethylamino)propylsulfamoylmethanesulfonic acid?
The InChIKey is HIVXJALCLOGLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O5S2/c1-8(2)5-3-4-7-14(9,10)6-15(11,12)13/h7H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 3-(dimethylamino)propylsulfamoylmethanesulfonic acid?
3-(dimethylamino)propylsulfamoylmethanesulfonic acid has a molecular weight of 260.34 g/mol, XLogP of -1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propylsulfamoylmethanesulfonic acid is sourced from PubChem (CID 20665353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).