1-[butyl(sulfinato)amino]butane

C8H18NO2S- — CID 22351018

IUPAC1-[butyl(sulfinato)amino]butane
SMILESCCCCN(CCCC)S(=O)[O-]
InChIInChI=1S/C8H19NO2S/c1-3-5-7-9(12(10)11)8-6-4-2/h3-8H2,1-2H3,(H,10,11)/p-1
InChIKeyLCDLEPHIVDPODV-UHFFFAOYSA-M
MW192.30 g/mol
LogP1.68
Rot. Bonds7

About 1-[butyl(sulfinato)amino]butane

1-[butyl(sulfinato)amino]butane (PubChem CID 22351018) has the molecular formula C8H18NO2S- and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-[butyl(sulfinato)amino]butane.

Molecular Properties

Compound Name1-[butyl(sulfinato)amino]butane
PubChem CID22351018
Molecular FormulaC8H18NO2S-
Molecular Weight192.30 g/mol
Exact Mass192.11
IUPAC Name1-[butyl(sulfinato)amino]butane
SMILESCCCCN(CCCC)S(=O)[O-]
InChIInChI=1S/C8H19NO2S/c1-3-5-7-9(12(10)11)8-6-4-2/h3-8H2,1-2H3,(H,10,11)/p-1
InChIKeyLCDLEPHIVDPODV-UHFFFAOYSA-M
XLogP1.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[butyl(sulfinato)amino]butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(sulfinato)amino]butane?
The IUPAC name of 1-[butyl(sulfinato)amino]butane (CID 22351018) is 1-[butyl(sulfinato)amino]butane.
What is the SMILES notation for 1-[butyl(sulfinato)amino]butane?
The canonical SMILES for 1-[butyl(sulfinato)amino]butane is CCCCN(CCCC)S(=O)[O-].
What is the InChIKey of 1-[butyl(sulfinato)amino]butane?
The InChIKey is LCDLEPHIVDPODV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19NO2S/c1-3-5-7-9(12(10)11)8-6-4-2/h3-8H2,1-2H3,(H,10,11)/p-1.
What are the key properties of 1-[butyl(sulfinato)amino]butane?
1-[butyl(sulfinato)amino]butane has a molecular weight of 192.30 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(sulfinato)amino]butane is sourced from PubChem (CID 22351018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).