butan-2-yl N-(ethylsulfonylamino)carbamate

C7H16N2O4S — CID 71443647

IUPACbutan-2-yl N-(ethylsulfonylamino)carbamate
SMILESCCC(C)OC(=O)NNS(=O)(=O)CC
InChIInChI=1S/C7H16N2O4S/c1-4-6(3)13-7(10)8-9-14(11,12)5-2/h6,9H,4-5H2,1-3H3,(H,8,10)
InChIKeyXGURMINPWJHSKX-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.37
Rot. Bonds5

About butan-2-yl N-(ethylsulfonylamino)carbamate

butan-2-yl N-(ethylsulfonylamino)carbamate (PubChem CID 71443647) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is butan-2-yl N-(ethylsulfonylamino)carbamate.

Molecular Properties

Compound Namebutan-2-yl N-(ethylsulfonylamino)carbamate
PubChem CID71443647
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Namebutan-2-yl N-(ethylsulfonylamino)carbamate
SMILESCCC(C)OC(=O)NNS(=O)(=O)CC
InChIInChI=1S/C7H16N2O4S/c1-4-6(3)13-7(10)8-9-14(11,12)5-2/h6,9H,4-5H2,1-3H3,(H,8,10)
InChIKeyXGURMINPWJHSKX-UHFFFAOYSA-N
XLogP0.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze butan-2-yl N-(ethylsulfonylamino)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-(ethylsulfonylamino)carbamate?
The IUPAC name of butan-2-yl N-(ethylsulfonylamino)carbamate (CID 71443647) is butan-2-yl N-(ethylsulfonylamino)carbamate.
What is the SMILES notation for butan-2-yl N-(ethylsulfonylamino)carbamate?
The canonical SMILES for butan-2-yl N-(ethylsulfonylamino)carbamate is CCC(C)OC(=O)NNS(=O)(=O)CC.
What is the InChIKey of butan-2-yl N-(ethylsulfonylamino)carbamate?
The InChIKey is XGURMINPWJHSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-4-6(3)13-7(10)8-9-14(11,12)5-2/h6,9H,4-5H2,1-3H3,(H,8,10).
What are the key properties of butan-2-yl N-(ethylsulfonylamino)carbamate?
butan-2-yl N-(ethylsulfonylamino)carbamate has a molecular weight of 224.28 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-(ethylsulfonylamino)carbamate is sourced from PubChem (CID 71443647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).