1-[methyl(sulfino)amino]butane

C5H13NO2S — CID 19356907

IUPAC1-[methyl(sulfino)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)
InChIKeyBXBBISGPEJRPLQ-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.86
Rot. Bonds4

About 1-[methyl(sulfino)amino]butane

1-[methyl(sulfino)amino]butane (PubChem CID 19356907) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 1-[methyl(sulfino)amino]butane.

Molecular Properties

Compound Name1-[methyl(sulfino)amino]butane
PubChem CID19356907
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name1-[methyl(sulfino)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)
InChIKeyBXBBISGPEJRPLQ-UHFFFAOYSA-N
XLogP0.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dibutylsulfamic acid
CID 301003
N-butyl-N-methylsulfamoyl chloride
CID 16770019
1-[Sulfino(trifluoromethyl)amino]butane
CID 126619270
Dimethyl-propyl-sulfoazanium
CID 12914631
1-[Propyl(sulfino)amino]propane
CID 17894619
1-[Propyl(sulfinato)amino]butane
CID 17989660
1-[Propyl(sulfino)amino]butane
CID 17989661
Dipropylsulfamic acid
CID 18943127
1-[Methyl(sulfinato)amino]butane
CID 19356906
1-[Methyl(sulfinato)amino]propane
CID 19356942
1-[Methyl(sulfino)amino]propane
CID 19356943
1-[Methyl(sulfinato)amino]pentane
CID 19803025

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(sulfino)amino]butane?
The IUPAC name of 1-[methyl(sulfino)amino]butane (CID 19356907) is 1-[methyl(sulfino)amino]butane.
What is the SMILES notation for 1-[methyl(sulfino)amino]butane?
The canonical SMILES for 1-[methyl(sulfino)amino]butane is CCCCN(C)S(=O)O.
What is the InChIKey of 1-[methyl(sulfino)amino]butane?
The InChIKey is BXBBISGPEJRPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-3-4-5-6(2)9(7)8/h3-5H2,1-2H3,(H,7,8).
What are the key properties of 1-[methyl(sulfino)amino]butane?
1-[methyl(sulfino)amino]butane has a molecular weight of 151.23 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(sulfino)amino]butane is sourced from PubChem (CID 19356907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).