N-(2-sulfamoylethyl)butane-1-sulfonamide

C6H16N2O4S2 — CID 61131734

IUPACN-(2-sulfamoylethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCS(N)(=O)=O
InChIInChI=1S/C6H16N2O4S2/c1-2-3-5-14(11,12)8-4-6-13(7,9)10/h8H,2-6H2,1H3,(H2,7,9,10)
InChIKeyNQIWKMYPFIOUAO-UHFFFAOYSA-N
MW244.34 g/mol
LogP-1.01
Rot. Bonds7

About N-(2-sulfamoylethyl)butane-1-sulfonamide

N-(2-sulfamoylethyl)butane-1-sulfonamide (PubChem CID 61131734) has the molecular formula C6H16N2O4S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(2-sulfamoylethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-sulfamoylethyl)butane-1-sulfonamide
PubChem CID61131734
Molecular FormulaC6H16N2O4S2
Molecular Weight244.34 g/mol
Exact Mass244.06
IUPAC NameN-(2-sulfamoylethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCS(N)(=O)=O
InChIInChI=1S/C6H16N2O4S2/c1-2-3-5-14(11,12)8-4-6-13(7,9)10/h8H,2-6H2,1H3,(H2,7,9,10)
InChIKeyNQIWKMYPFIOUAO-UHFFFAOYSA-N
XLogP-1.01
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-sulfamoylethyl)propane-1-sulfonamide
CID 61131733
CID 175918224
CID 175918224
N-decylbutane-1-sulfonamide
CID 19681427
2-amino-N-(2-sulfamoylethyl)ethanesulfonamide
CID 43552164
N-[2-(propylamino)ethyl]butane-1-sulfonamide
CID 62663882
butane-1-sulfonamide;dihydrochloride
CID 140980497
N-(4-aminopentyl)butane-1-sulfonamide
CID 106125942
2-(pentylamino)ethanesulfonamide
CID 43551719
N-(6-iodohexyl)butane-1-sulfonamide
CID 107848989
N-(5-bromopentyl)butane-1-sulfonamide
CID 107323070
N-octadecylpropane-1-sulfonamide
CID 88827291
N-(2-amino-2-methylpropyl)butane-1-sulfonamide
CID 115303565

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoylethyl)butane-1-sulfonamide?
The IUPAC name of N-(2-sulfamoylethyl)butane-1-sulfonamide (CID 61131734) is N-(2-sulfamoylethyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-sulfamoylethyl)butane-1-sulfonamide?
The canonical SMILES for N-(2-sulfamoylethyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCCS(N)(=O)=O.
What is the InChIKey of N-(2-sulfamoylethyl)butane-1-sulfonamide?
The InChIKey is NQIWKMYPFIOUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O4S2/c1-2-3-5-14(11,12)8-4-6-13(7,9)10/h8H,2-6H2,1H3,(H2,7,9,10).
What are the key properties of N-(2-sulfamoylethyl)butane-1-sulfonamide?
N-(2-sulfamoylethyl)butane-1-sulfonamide has a molecular weight of 244.34 g/mol, XLogP of -1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoylethyl)butane-1-sulfonamide is sourced from PubChem (CID 61131734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).