carbon dioxide;N-(1-ethylcyclobutyl)-2-methylpropane-2-sulfinamide

C11H21NO3S — CID 157376262

IUPACcarbon dioxide;N-(1-ethylcyclobutyl)-2-methylpropane-2-sulfinamide
SMILESCCC1(NS(=O)C(C)(C)C)CCC1.O=C=O
InChIInChI=1S/C10H21NOS.CO2/c1-5-10(7-6-8-10)11-13(12)9(2,3)4;2-1-3/h11H,5-8H2,1-4H3;
InChIKeyBKJAEDTZLFMQIU-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.79
Rot. Bonds3

About carbon dioxide;N-(1-ethylcyclobutyl)-2-methylpropane-2-sulfinamide

carbon dioxide;N-(1-ethylcyclobutyl)-2-methylpropane-2-sulfinamide (PubChem CID 157376262) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is carbon dioxide;N-(1-ethylcyclobutyl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Namecarbon dioxide;N-(1-ethylcyclobutyl)-2-methylpropane-2-sulfinamide
PubChem CID157376262
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Namecarbon dioxide;N-(1-ethylcyclobutyl)-2-methylpropane-2-sulfinamide
SMILESCCC1(NS(=O)C(C)(C)C)CCC1.O=C=O
InChIInChI=1S/C10H21NOS.CO2/c1-5-10(7-6-8-10)11-13(12)9(2,3)4;2-1-3/h11H,5-8H2,1-4H3;
InChIKeyBKJAEDTZLFMQIU-UHFFFAOYSA-N
XLogP1.79
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-(1-ethylcyclobutyl)-2-methylpropane-2-sulfinamide?
The IUPAC name of carbon dioxide;N-(1-ethylcyclobutyl)-2-methylpropane-2-sulfinamide (CID 157376262) is carbon dioxide;N-(1-ethylcyclobutyl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for carbon dioxide;N-(1-ethylcyclobutyl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for carbon dioxide;N-(1-ethylcyclobutyl)-2-methylpropane-2-sulfinamide is CCC1(NS(=O)C(C)(C)C)CCC1.O=C=O.
What is the InChIKey of carbon dioxide;N-(1-ethylcyclobutyl)-2-methylpropane-2-sulfinamide?
The InChIKey is BKJAEDTZLFMQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS.CO2/c1-5-10(7-6-8-10)11-13(12)9(2,3)4;2-1-3/h11H,5-8H2,1-4H3;.
What are the key properties of carbon dioxide;N-(1-ethylcyclobutyl)-2-methylpropane-2-sulfinamide?
carbon dioxide;N-(1-ethylcyclobutyl)-2-methylpropane-2-sulfinamide has a molecular weight of 247.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N-(1-ethylcyclobutyl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 157376262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).