[3-[methyl(methylsulfonyl)amino]cyclobutyl] formate

C7H13NO4S — CID 174574774

IUPAC[3-[methyl(methylsulfonyl)amino]cyclobutyl] formate
SMILESCN(C1CC(OC=O)C1)S(C)(=O)=O
InChIInChI=1S/C7H13NO4S/c1-8(13(2,10)11)6-3-7(4-6)12-5-9/h5-7H,3-4H2,1-2H3
InChIKeyUVSDPROACBOHKL-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.42
Rot. Bonds4

About [3-[methyl(methylsulfonyl)amino]cyclobutyl] formate

[3-[methyl(methylsulfonyl)amino]cyclobutyl] formate (PubChem CID 174574774) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is [3-[methyl(methylsulfonyl)amino]cyclobutyl] formate.

Molecular Properties

Compound Name[3-[methyl(methylsulfonyl)amino]cyclobutyl] formate
PubChem CID174574774
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name[3-[methyl(methylsulfonyl)amino]cyclobutyl] formate
SMILESCN(C1CC(OC=O)C1)S(C)(=O)=O
InChIInChI=1S/C7H13NO4S/c1-8(13(2,10)11)6-3-7(4-6)12-5-9/h5-7H,3-4H2,1-2H3
InChIKeyUVSDPROACBOHKL-UHFFFAOYSA-N
XLogP-0.42
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[methyl(methylsulfonyl)amino]cyclobutyl] formate?
The IUPAC name of [3-[methyl(methylsulfonyl)amino]cyclobutyl] formate (CID 174574774) is [3-[methyl(methylsulfonyl)amino]cyclobutyl] formate.
What is the SMILES notation for [3-[methyl(methylsulfonyl)amino]cyclobutyl] formate?
The canonical SMILES for [3-[methyl(methylsulfonyl)amino]cyclobutyl] formate is CN(C1CC(OC=O)C1)S(C)(=O)=O.
What is the InChIKey of [3-[methyl(methylsulfonyl)amino]cyclobutyl] formate?
The InChIKey is UVSDPROACBOHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-8(13(2,10)11)6-3-7(4-6)12-5-9/h5-7H,3-4H2,1-2H3.
What are the key properties of [3-[methyl(methylsulfonyl)amino]cyclobutyl] formate?
[3-[methyl(methylsulfonyl)amino]cyclobutyl] formate has a molecular weight of 207.25 g/mol, XLogP of -0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl(methylsulfonyl)amino]cyclobutyl] formate is sourced from PubChem (CID 174574774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).