[methyl(sulfino)amino]methylcyclopropane

C5H11NO2S — CID 58392030

IUPAC[methyl(sulfino)amino]methylcyclopropane
SMILESCN(CC1CC1)S(=O)O
InChIInChI=1S/C5H11NO2S/c1-6(9(7)8)4-5-2-3-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyXKYSDHVRTDAFLW-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.46
Rot. Bonds3

About [methyl(sulfino)amino]methylcyclopropane

[methyl(sulfino)amino]methylcyclopropane (PubChem CID 58392030) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is [methyl(sulfino)amino]methylcyclopropane.

Molecular Properties

Compound Name[methyl(sulfino)amino]methylcyclopropane
PubChem CID58392030
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name[methyl(sulfino)amino]methylcyclopropane
SMILESCN(CC1CC1)S(=O)O
InChIInChI=1S/C5H11NO2S/c1-6(9(7)8)4-5-2-3-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyXKYSDHVRTDAFLW-UHFFFAOYSA-N
XLogP0.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.46
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

N-(cyclopropylmethyl)-N-methylsulfamoyl chloride
CID 54594619
Methyl(2-methylpropyl)sulfamic acid
CID 23466965
[Methyl(sulfinato)amino]methylcyclopropane
CID 58392029
[Propyl(sulfinato)amino]methylcyclopropane
CID 122647028
[Ethyl(sulfinato)amino]methylcyclopropane
CID 134590496
1-[Methyl(sulfino)amino]butane
CID 19356907
2-Methyl-1-[methyl(sulfino)amino]propane
CID 19733480
Methyl(3-methylbutyl)sulfamic acid
CID 23466961
Methyl(2-methylbutyl)sulfamic acid
CID 23466970
3-Methyl-1-[methyl(sulfino)amino]butane
CID 57219544
1-[Ethyl(sulfino)amino]-2-methylpropane
CID 57277898
2-Methyl-1-[methyl(sulfino)amino]butane
CID 57325290

Frequently Asked Questions

What is the IUPAC name of [methyl(sulfino)amino]methylcyclopropane?
The IUPAC name of [methyl(sulfino)amino]methylcyclopropane (CID 58392030) is [methyl(sulfino)amino]methylcyclopropane.
What is the SMILES notation for [methyl(sulfino)amino]methylcyclopropane?
The canonical SMILES for [methyl(sulfino)amino]methylcyclopropane is CN(CC1CC1)S(=O)O.
What is the InChIKey of [methyl(sulfino)amino]methylcyclopropane?
The InChIKey is XKYSDHVRTDAFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-6(9(7)8)4-5-2-3-5/h5H,2-4H2,1H3,(H,7,8).
What are the key properties of [methyl(sulfino)amino]methylcyclopropane?
[methyl(sulfino)amino]methylcyclopropane has a molecular weight of 149.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(sulfino)amino]methylcyclopropane is sourced from PubChem (CID 58392030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).