azane;2-methylcyclopropane-1-sulfonic acid

C4H11NO3S — CID 174740812

IUPACazane;2-methylcyclopropane-1-sulfonic acid
SMILESCC1CC1S(=O)(=O)O.N
InChIInChI=1S/C4H8O3S.H3N/c1-3-2-4(3)8(5,6)7;/h3-4H,2H2,1H3,(H,5,6,7);1H3
InChIKeyLHBHGJPHGKDKLZ-UHFFFAOYSA-N
MW153.20 g/mol
LogP0.44
Rot. Bonds1

About azane;2-methylcyclopropane-1-sulfonic acid

azane;2-methylcyclopropane-1-sulfonic acid (PubChem CID 174740812) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is azane;2-methylcyclopropane-1-sulfonic acid.

Molecular Properties

Compound Nameazane;2-methylcyclopropane-1-sulfonic acid
PubChem CID174740812
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Nameazane;2-methylcyclopropane-1-sulfonic acid
SMILESCC1CC1S(=O)(=O)O.N
InChIInChI=1S/C4H8O3S.H3N/c1-3-2-4(3)8(5,6)7;/h3-4H,2H2,1H3,(H,5,6,7);1H3
InChIKeyLHBHGJPHGKDKLZ-UHFFFAOYSA-N
XLogP0.44
TPSA89.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-methylcyclopropane-1-sulfonic acid
CID 174740813
cis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane
CID 89002807
(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonic acid
CID 14806226
5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-sulfonic acid
CID 89385600
azane;2-methyl-4-methylidene-3-oxocyclopentane-1-sulfonic acid
CID 175027298
(2R,3R,5S)-3-methyl-5-sulfopyrrolidine-2-carboxylic acid
CID 5287761
(2,4,5-trimethylcyclohexyl)methanesulfonic acid
CID 135296236
CID 175927772
CID 175927772
(3-methylcyclopentyl)sulfamic acid
CID 19748602
azane;sulfuric acid
CID 173165368
3-(3-sulfocyclohexyl)sulfonylcyclohexane-1-sulfonic acid
CID 89040753
2-chlorocyclopentane-1-sulfonic acid
CID 23054186

Frequently Asked Questions

What is the IUPAC name of azane;2-methylcyclopropane-1-sulfonic acid?
The IUPAC name of azane;2-methylcyclopropane-1-sulfonic acid (CID 174740812) is azane;2-methylcyclopropane-1-sulfonic acid.
What is the SMILES notation for azane;2-methylcyclopropane-1-sulfonic acid?
The canonical SMILES for azane;2-methylcyclopropane-1-sulfonic acid is CC1CC1S(=O)(=O)O.N.
What is the InChIKey of azane;2-methylcyclopropane-1-sulfonic acid?
The InChIKey is LHBHGJPHGKDKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S.H3N/c1-3-2-4(3)8(5,6)7;/h3-4H,2H2,1H3,(H,5,6,7);1H3.
What are the key properties of azane;2-methylcyclopropane-1-sulfonic acid?
azane;2-methylcyclopropane-1-sulfonic acid has a molecular weight of 153.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methylcyclopropane-1-sulfonic acid is sourced from PubChem (CID 174740812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).