N-butylmethanesulfinamide

C5H13NOS — CID 89057354

IUPACN-butylmethanesulfinamide
SMILESCCCCNS(C)=O
InChIInChI=1S/C5H13NOS/c1-3-4-5-6-8(2)7/h6H,3-5H2,1-2H3
InChIKeySHMLPEXDDHCZEW-UHFFFAOYSA-N
MW135.23 g/mol
LogP0.67
Rot. Bonds4

About N-butylmethanesulfinamide

N-butylmethanesulfinamide (PubChem CID 89057354) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is N-butylmethanesulfinamide.

Molecular Properties

Compound NameN-butylmethanesulfinamide
PubChem CID89057354
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC NameN-butylmethanesulfinamide
SMILESCCCCNS(C)=O
InChIInChI=1S/C5H13NOS/c1-3-4-5-6-8(2)7/h6H,3-5H2,1-2H3
InChIKeySHMLPEXDDHCZEW-UHFFFAOYSA-N
XLogP0.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 50.67
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-butylmethanesulfinamide?
The IUPAC name of N-butylmethanesulfinamide (CID 89057354) is N-butylmethanesulfinamide.
What is the SMILES notation for N-butylmethanesulfinamide?
The canonical SMILES for N-butylmethanesulfinamide is CCCCNS(C)=O.
What is the InChIKey of N-butylmethanesulfinamide?
The InChIKey is SHMLPEXDDHCZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-3-4-5-6-8(2)7/h6H,3-5H2,1-2H3.
What are the key properties of N-butylmethanesulfinamide?
N-butylmethanesulfinamide has a molecular weight of 135.23 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylmethanesulfinamide is sourced from PubChem (CID 89057354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).