(1-methylcyclobutyl)sulfamic acid

C5H11NO3S — CID 175699269

IUPAC(1-methylcyclobutyl)sulfamic acid
SMILESCC1(NS(=O)(=O)O)CCC1
InChIInChI=1S/C5H11NO3S/c1-5(3-2-4-5)6-10(7,8)9/h6H,2-4H2,1H3,(H,7,8,9)
InChIKeyMSNCLXGBJKFXIH-UHFFFAOYSA-N
MW165.21 g/mol
LogP0.32
Rot. Bonds2

About (1-methylcyclobutyl)sulfamic acid

(1-methylcyclobutyl)sulfamic acid (PubChem CID 175699269) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is (1-methylcyclobutyl)sulfamic acid.

Molecular Properties

Compound Name(1-methylcyclobutyl)sulfamic acid
PubChem CID175699269
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name(1-methylcyclobutyl)sulfamic acid
SMILESCC1(NS(=O)(=O)O)CCC1
InChIInChI=1S/C5H11NO3S/c1-5(3-2-4-5)6-10(7,8)9/h6H,2-4H2,1H3,(H,7,8,9)
InChIKeyMSNCLXGBJKFXIH-UHFFFAOYSA-N
XLogP0.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 50.32
H-Bond Donors ≤ 52
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 (1-methylcyclobutyl)sulfamic acid?
The IUPAC name of (1-methylcyclobutyl)sulfamic acid (CID 175699269) is (1-methylcyclobutyl)sulfamic acid.
What is the SMILES notation for (1-methylcyclobutyl)sulfamic acid?
The canonical SMILES for (1-methylcyclobutyl)sulfamic acid is CC1(NS(=O)(=O)O)CCC1.
What is the InChIKey of (1-methylcyclobutyl)sulfamic acid?
The InChIKey is MSNCLXGBJKFXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-5(3-2-4-5)6-10(7,8)9/h6H,2-4H2,1H3,(H,7,8,9).
What are the key properties of (1-methylcyclobutyl)sulfamic acid?
(1-methylcyclobutyl)sulfamic acid has a molecular weight of 165.21 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclobutyl)sulfamic acid is sourced from PubChem (CID 175699269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).