methyl(propyl)sulfamic acid

C4H11NO3S — CID 23332149

IUPACmethyl(propyl)sulfamic acid
SMILESCCCN(C)S(=O)(=O)O
InChIInChI=1S/C4H11NO3S/c1-3-4-5(2)9(6,7)8/h3-4H2,1-2H3,(H,6,7,8)
InChIKeyYZVQGLCYZLGIAM-UHFFFAOYSA-N
MW153.20 g/mol
LogP0.13
Rot. Bonds3

About methyl(propyl)sulfamic acid

methyl(propyl)sulfamic acid (PubChem CID 23332149) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is methyl(propyl)sulfamic acid.

Molecular Properties

Compound Namemethyl(propyl)sulfamic acid
PubChem CID23332149
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Namemethyl(propyl)sulfamic acid
SMILESCCCN(C)S(=O)(=O)O
InChIInChI=1S/C4H11NO3S/c1-3-4-5(2)9(6,7)8/h3-4H2,1-2H3,(H,6,7,8)
InChIKeyYZVQGLCYZLGIAM-UHFFFAOYSA-N
XLogP0.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 50.13
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 methyl(propyl)sulfamic acid?
The IUPAC name of methyl(propyl)sulfamic acid (CID 23332149) is methyl(propyl)sulfamic acid.
What is the SMILES notation for methyl(propyl)sulfamic acid?
The canonical SMILES for methyl(propyl)sulfamic acid is CCCN(C)S(=O)(=O)O.
What is the InChIKey of methyl(propyl)sulfamic acid?
The InChIKey is YZVQGLCYZLGIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-3-4-5(2)9(6,7)8/h3-4H2,1-2H3,(H,6,7,8).
What are the key properties of methyl(propyl)sulfamic acid?
methyl(propyl)sulfamic acid has a molecular weight of 153.20 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(propyl)sulfamic acid is sourced from PubChem (CID 23332149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).