N-oxidobutane-1-sulfonamide

C4H10NO3S- — CID 141093832

IUPACN-oxidobutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[O-]
InChIInChI=1S/C4H10NO3S/c1-2-3-4-9(7,8)5-6/h5H,2-4H2,1H3/q-1
InChIKeyAHMVTWNDTCESSE-UHFFFAOYSA-N
MW152.19 g/mol
LogP0.20
Rot. Bonds4

About N-oxidobutane-1-sulfonamide

N-oxidobutane-1-sulfonamide (PubChem CID 141093832) has the molecular formula C4H10NO3S- and a molecular weight of 152.19 g/mol. Its IUPAC name is N-oxidobutane-1-sulfonamide.

Molecular Properties

Compound NameN-oxidobutane-1-sulfonamide
PubChem CID141093832
Molecular FormulaC4H10NO3S-
Molecular Weight152.19 g/mol
Exact Mass152.04
IUPAC NameN-oxidobutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[O-]
InChIInChI=1S/C4H10NO3S/c1-2-3-4-9(7,8)5-6/h5H,2-4H2,1H3/q-1
InChIKeyAHMVTWNDTCESSE-UHFFFAOYSA-N
XLogP0.20
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methylbutane-1-sulfonamide;hydrochloride
CID 141278218
N-methoxybutane-1-sulfonamide
CID 64973999
lithium butane-1-sulfonate
CID 23684871
N-decylbutane-1-sulfonamide
CID 19681427
aluminum tris(butane-1-sulfonate)
CID 158588198
CID 175918224
CID 175918224
(2R)-2-(butylsulfonylamino)propanoate
CID 2447741
N-[2-(propylamino)ethyl]butane-1-sulfonamide
CID 62663882
N-(2-amino-2-methylpropyl)butane-1-sulfonamide
CID 115303565
N-(2-sulfamoylethyl)butane-1-sulfonamide
CID 61131734
undecane-1-sulfonohydrazide
CID 174980858
CID 172750944
CID 172750944

Frequently Asked Questions

What is the IUPAC name of N-oxidobutane-1-sulfonamide?
The IUPAC name of N-oxidobutane-1-sulfonamide (CID 141093832) is N-oxidobutane-1-sulfonamide.
What is the SMILES notation for N-oxidobutane-1-sulfonamide?
The canonical SMILES for N-oxidobutane-1-sulfonamide is CCCCS(=O)(=O)N[O-].
What is the InChIKey of N-oxidobutane-1-sulfonamide?
The InChIKey is AHMVTWNDTCESSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO3S/c1-2-3-4-9(7,8)5-6/h5H,2-4H2,1H3/q-1.
What are the key properties of N-oxidobutane-1-sulfonamide?
N-oxidobutane-1-sulfonamide has a molecular weight of 152.19 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxidobutane-1-sulfonamide is sourced from PubChem (CID 141093832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).