Butylsulfoximide

C4H10NOS- — CID 22762435

IUPAC—
SMILES[H]/N=[S-](=O)/CCCC
InChIInChI=1S/C4H10NOS/c1-2-3-4-7(5)6/h5H,2-4H2,1H3/q-1
InChIKeyUNLIASNEYIYDFZ-UHFFFAOYSA-N
MW120.20 g/mol
LogP1.51
Rot. Bonds3

About Butylsulfoximide

Butylsulfoximide (PubChem CID 22762435) has the molecular formula C4H10NOS- and a molecular weight of 120.20 g/mol.

Molecular Properties

Compound NameButylsulfoximide
PubChem CID22762435
Molecular FormulaC4H10NOS-
Molecular Weight120.20 g/mol
Exact Mass120.05
IUPAC Name—
SMILES[H]/N=[S-](=O)/CCCC
InChIInChI=1S/C4H10NOS/c1-2-3-4-7(5)6/h5H,2-4H2,1H3/q-1
InChIKeyUNLIASNEYIYDFZ-UHFFFAOYSA-N
XLogP1.51
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

1-Butanesulfonamide
CID 18460
Tert-Butanesulfinamide
CID 3382465
tert-Butylsulfinamide, (R)-(+)-
CID 10964479
tert-Butylsulfinamide, (S)-(-)-
CID 11355477
Propane-1-sulfinamide
CID 53787101
Ethanesulfinamide
CID 53878721
Propane-2-sulfinamide
CID 54439398
Butane-2-sulfonamide
CID 20482438
2-Methylpropane-1-sulfinamide
CID 21959854
Ethanesulfonoimidamide
CID 138987935
2-(S-methylsulfonimidoyl)butane
CID 137698553
Cyclobutanesulfinamide
CID 165749777

Frequently Asked Questions

What is the IUPAC name of Butylsulfoximide?
The IUPAC name of Butylsulfoximide (CID 22762435) is not available.
What is the SMILES notation for Butylsulfoximide?
The canonical SMILES for Butylsulfoximide is [H]/N=[S-](=O)/CCCC.
What is the InChIKey of Butylsulfoximide?
The InChIKey is UNLIASNEYIYDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NOS/c1-2-3-4-7(5)6/h5H,2-4H2,1H3/q-1.
What are the key properties of Butylsulfoximide?
Butylsulfoximide has a molecular weight of 120.20 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Butylsulfoximide is sourced from PubChem (CID 22762435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).