N-methoxybutane-1-sulfonamide

C5H13NO3S — CID 64973999

IUPACN-methoxybutane-1-sulfonamide
SMILESCCCCS(=O)(=O)NOC
InChIInChI=1S/C5H13NO3S/c1-3-4-5-10(7,8)6-9-2/h6H,3-5H2,1-2H3
InChIKeyHIVIKZANCCTQPD-UHFFFAOYSA-N
MW167.23 g/mol
LogP0.27
Rot. Bonds5

About N-methoxybutane-1-sulfonamide

N-methoxybutane-1-sulfonamide (PubChem CID 64973999) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is N-methoxybutane-1-sulfonamide.

Molecular Properties

Compound NameN-methoxybutane-1-sulfonamide
PubChem CID64973999
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC NameN-methoxybutane-1-sulfonamide
SMILESCCCCS(=O)(=O)NOC
InChIInChI=1S/C5H13NO3S/c1-3-4-5-10(7,8)6-9-2/h6H,3-5H2,1-2H3
InChIKeyHIVIKZANCCTQPD-UHFFFAOYSA-N
XLogP0.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 50.27
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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Frequently Asked Questions

What is the IUPAC name of N-methoxybutane-1-sulfonamide?
The IUPAC name of N-methoxybutane-1-sulfonamide (CID 64973999) is N-methoxybutane-1-sulfonamide.
What is the SMILES notation for N-methoxybutane-1-sulfonamide?
The canonical SMILES for N-methoxybutane-1-sulfonamide is CCCCS(=O)(=O)NOC.
What is the InChIKey of N-methoxybutane-1-sulfonamide?
The InChIKey is HIVIKZANCCTQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-3-4-5-10(7,8)6-9-2/h6H,3-5H2,1-2H3.
What are the key properties of N-methoxybutane-1-sulfonamide?
N-methoxybutane-1-sulfonamide has a molecular weight of 167.23 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxybutane-1-sulfonamide is sourced from PubChem (CID 64973999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).