1-methyl-1-(sulfinocarbamoyloxy)cyclopropane

C5H9NO4S — CID 89156636

IUPAC1-methyl-1-(sulfinocarbamoyloxy)cyclopropane
SMILESCC1(OC(=O)NS(=O)O)CC1
InChIInChI=1S/C5H9NO4S/c1-5(2-3-5)10-4(7)6-11(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyHSOZYIHEGPRNOF-UHFFFAOYSA-N
MW179.20 g/mol
LogP0.40
Rot. Bonds2

About 1-methyl-1-(sulfinocarbamoyloxy)cyclopropane

1-methyl-1-(sulfinocarbamoyloxy)cyclopropane (PubChem CID 89156636) has the molecular formula C5H9NO4S and a molecular weight of 179.20 g/mol. Its IUPAC name is 1-methyl-1-(sulfinocarbamoyloxy)cyclopropane.

Molecular Properties

Compound Name1-methyl-1-(sulfinocarbamoyloxy)cyclopropane
PubChem CID89156636
Molecular FormulaC5H9NO4S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Name1-methyl-1-(sulfinocarbamoyloxy)cyclopropane
SMILESCC1(OC(=O)NS(=O)O)CC1
InChIInChI=1S/C5H9NO4S/c1-5(2-3-5)10-4(7)6-11(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyHSOZYIHEGPRNOF-UHFFFAOYSA-N
XLogP0.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(sulfinocarbamoyloxy)cyclopropane?
The IUPAC name of 1-methyl-1-(sulfinocarbamoyloxy)cyclopropane (CID 89156636) is 1-methyl-1-(sulfinocarbamoyloxy)cyclopropane.
What is the SMILES notation for 1-methyl-1-(sulfinocarbamoyloxy)cyclopropane?
The canonical SMILES for 1-methyl-1-(sulfinocarbamoyloxy)cyclopropane is CC1(OC(=O)NS(=O)O)CC1.
What is the InChIKey of 1-methyl-1-(sulfinocarbamoyloxy)cyclopropane?
The InChIKey is HSOZYIHEGPRNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4S/c1-5(2-3-5)10-4(7)6-11(8)9/h2-3H2,1H3,(H,6,7)(H,8,9).
What are the key properties of 1-methyl-1-(sulfinocarbamoyloxy)cyclopropane?
1-methyl-1-(sulfinocarbamoyloxy)cyclopropane has a molecular weight of 179.20 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(sulfinocarbamoyloxy)cyclopropane is sourced from PubChem (CID 89156636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).