1-[methyl(sulfinato)amino]butane

C5H12NO2S- — CID 19356906

IUPAC1-[methyl(sulfinato)amino]butane
SMILESCCCCN(C)S(=O)[O-]
InChIInChI=1S/C5H13NO2S/c1-3-4-5-6(2)9(7)8/h3-5H2,1-2H3,(H,7,8)/p-1
InChIKeyBXBBISGPEJRPLQ-UHFFFAOYSA-M
MW150.22 g/mol
LogP0.51
Rot. Bonds4

About 1-[methyl(sulfinato)amino]butane

1-[methyl(sulfinato)amino]butane (PubChem CID 19356906) has the molecular formula C5H12NO2S- and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-[methyl(sulfinato)amino]butane.

Molecular Properties

Compound Name1-[methyl(sulfinato)amino]butane
PubChem CID19356906
Molecular FormulaC5H12NO2S-
Molecular Weight150.22 g/mol
Exact Mass150.06
IUPAC Name1-[methyl(sulfinato)amino]butane
SMILESCCCCN(C)S(=O)[O-]
InChIInChI=1S/C5H13NO2S/c1-3-4-5-6(2)9(7)8/h3-5H2,1-2H3,(H,7,8)/p-1
InChIKeyBXBBISGPEJRPLQ-UHFFFAOYSA-M
XLogP0.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(sulfinato)amino]butane?
The IUPAC name of 1-[methyl(sulfinato)amino]butane (CID 19356906) is 1-[methyl(sulfinato)amino]butane.
What is the SMILES notation for 1-[methyl(sulfinato)amino]butane?
The canonical SMILES for 1-[methyl(sulfinato)amino]butane is CCCCN(C)S(=O)[O-].
What is the InChIKey of 1-[methyl(sulfinato)amino]butane?
The InChIKey is BXBBISGPEJRPLQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13NO2S/c1-3-4-5-6(2)9(7)8/h3-5H2,1-2H3,(H,7,8)/p-1.
What are the key properties of 1-[methyl(sulfinato)amino]butane?
1-[methyl(sulfinato)amino]butane has a molecular weight of 150.22 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(sulfinato)amino]butane is sourced from PubChem (CID 19356906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).