N-butylethanesulfinamide

C6H15NOS — CID 546320

IUPACN-butylethanesulfinamide
SMILESCCCCNS(=O)CC
InChIInChI=1S/C6H15NOS/c1-3-5-6-7-9(8)4-2/h7H,3-6H2,1-2H3
InChIKeyDXZBYFSOTAJPRI-UHFFFAOYSA-N
MW149.26 g/mol
LogP1.06
Rot. Bonds5

About N-butylethanesulfinamide

N-butylethanesulfinamide (PubChem CID 546320) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is N-butylethanesulfinamide.

Molecular Properties

Compound NameN-butylethanesulfinamide
PubChem CID546320
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC NameN-butylethanesulfinamide
SMILESCCCCNS(=O)CC
InChIInChI=1S/C6H15NOS/c1-3-5-6-7-9(8)4-2/h7H,3-6H2,1-2H3
InChIKeyDXZBYFSOTAJPRI-UHFFFAOYSA-N
XLogP1.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butylethanesulfinamide?
The IUPAC name of N-butylethanesulfinamide (CID 546320) is N-butylethanesulfinamide.
What is the SMILES notation for N-butylethanesulfinamide?
The canonical SMILES for N-butylethanesulfinamide is CCCCNS(=O)CC.
What is the InChIKey of N-butylethanesulfinamide?
The InChIKey is DXZBYFSOTAJPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-3-5-6-7-9(8)4-2/h7H,3-6H2,1-2H3.
What are the key properties of N-butylethanesulfinamide?
N-butylethanesulfinamide has a molecular weight of 149.26 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylethanesulfinamide is sourced from PubChem (CID 546320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).