cyclopropyl(methyl)sulfamic acid

C4H9NO3S — CID 22636799

IUPACcyclopropyl(methyl)sulfamic acid
SMILESCN(C1CC1)S(=O)(=O)O
InChIInChI=1S/C4H9NO3S/c1-5(4-2-3-4)9(6,7)8/h4H,2-3H2,1H3,(H,6,7,8)
InChIKeyIPRMRPVYFGSFQB-UHFFFAOYSA-N
MW151.19 g/mol
LogP-0.12
Rot. Bonds2

About cyclopropyl(methyl)sulfamic acid

cyclopropyl(methyl)sulfamic acid (PubChem CID 22636799) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is cyclopropyl(methyl)sulfamic acid.

Molecular Properties

Compound Namecyclopropyl(methyl)sulfamic acid
PubChem CID22636799
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Namecyclopropyl(methyl)sulfamic acid
SMILESCN(C1CC1)S(=O)(=O)O
InChIInChI=1S/C4H9NO3S/c1-5(4-2-3-4)9(6,7)8/h4H,2-3H2,1H3,(H,6,7,8)
InChIKeyIPRMRPVYFGSFQB-UHFFFAOYSA-N
XLogP-0.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(methyl)sulfamic acid?
The IUPAC name of cyclopropyl(methyl)sulfamic acid (CID 22636799) is cyclopropyl(methyl)sulfamic acid.
What is the SMILES notation for cyclopropyl(methyl)sulfamic acid?
The canonical SMILES for cyclopropyl(methyl)sulfamic acid is CN(C1CC1)S(=O)(=O)O.
What is the InChIKey of cyclopropyl(methyl)sulfamic acid?
The InChIKey is IPRMRPVYFGSFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c1-5(4-2-3-4)9(6,7)8/h4H,2-3H2,1H3,(H,6,7,8).
What are the key properties of cyclopropyl(methyl)sulfamic acid?
cyclopropyl(methyl)sulfamic acid has a molecular weight of 151.19 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(methyl)sulfamic acid is sourced from PubChem (CID 22636799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).