N-butylsulfonylformamide

C5H11NO3S — CID 54068891

IUPACN-butylsulfonylformamide
SMILESCCCCS(=O)(=O)NC=O
InChIInChI=1S/C5H11NO3S/c1-2-3-4-10(8,9)6-5-7/h5H,2-4H2,1H3,(H,6,7)
InChIKeyBKUHSLJYPQVNNO-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.14
Rot. Bonds5

About N-butylsulfonylformamide

N-butylsulfonylformamide (PubChem CID 54068891) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is N-butylsulfonylformamide.

Molecular Properties

Compound NameN-butylsulfonylformamide
PubChem CID54068891
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC NameN-butylsulfonylformamide
SMILESCCCCS(=O)(=O)NC=O
InChIInChI=1S/C5H11NO3S/c1-2-3-4-10(8,9)6-5-7/h5H,2-4H2,1H3,(H,6,7)
InChIKeyBKUHSLJYPQVNNO-UHFFFAOYSA-N
XLogP-0.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butylsulfonylformamide?
The IUPAC name of N-butylsulfonylformamide (CID 54068891) is N-butylsulfonylformamide.
What is the SMILES notation for N-butylsulfonylformamide?
The canonical SMILES for N-butylsulfonylformamide is CCCCS(=O)(=O)NC=O.
What is the InChIKey of N-butylsulfonylformamide?
The InChIKey is BKUHSLJYPQVNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-2-3-4-10(8,9)6-5-7/h5H,2-4H2,1H3,(H,6,7).
What are the key properties of N-butylsulfonylformamide?
N-butylsulfonylformamide has a molecular weight of 165.21 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylsulfonylformamide is sourced from PubChem (CID 54068891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).