N-(3-cyanocyclobutyl)-2-methylpropane-2-sulfinamide;ethane

C11H22N2OS — CID 144981761

IUPACN-(3-cyanocyclobutyl)-2-methylpropane-2-sulfinamide;ethane
SMILESCC.CC(C)(C)S(=O)NC1CC(C#N)C1
InChIInChI=1S/C9H16N2OS.C2H6/c1-9(2,3)13(12)11-8-4-7(5-8)6-10;1-2/h7-8,11H,4-5H2,1-3H3;1-2H3
InChIKeyFSSRFFQEIGSGES-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.37
Rot. Bonds2

About N-(3-cyanocyclobutyl)-2-methylpropane-2-sulfinamide;ethane

N-(3-cyanocyclobutyl)-2-methylpropane-2-sulfinamide;ethane (PubChem CID 144981761) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-(3-cyanocyclobutyl)-2-methylpropane-2-sulfinamide;ethane.

Molecular Properties

Compound NameN-(3-cyanocyclobutyl)-2-methylpropane-2-sulfinamide;ethane
PubChem CID144981761
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-(3-cyanocyclobutyl)-2-methylpropane-2-sulfinamide;ethane
SMILESCC.CC(C)(C)S(=O)NC1CC(C#N)C1
InChIInChI=1S/C9H16N2OS.C2H6/c1-9(2,3)13(12)11-8-4-7(5-8)6-10;1-2/h7-8,11H,4-5H2,1-3H3;1-2H3
InChIKeyFSSRFFQEIGSGES-UHFFFAOYSA-N
XLogP2.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-cyanocyclobutyl)-2-methylpropane-2-sulfinamide;ethane 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 N-(3-cyanocyclobutyl)-2-methylpropane-2-sulfinamide;ethane?
The IUPAC name of N-(3-cyanocyclobutyl)-2-methylpropane-2-sulfinamide;ethane (CID 144981761) is N-(3-cyanocyclobutyl)-2-methylpropane-2-sulfinamide;ethane.
What is the SMILES notation for N-(3-cyanocyclobutyl)-2-methylpropane-2-sulfinamide;ethane?
The canonical SMILES for N-(3-cyanocyclobutyl)-2-methylpropane-2-sulfinamide;ethane is CC.CC(C)(C)S(=O)NC1CC(C#N)C1.
What is the InChIKey of N-(3-cyanocyclobutyl)-2-methylpropane-2-sulfinamide;ethane?
The InChIKey is FSSRFFQEIGSGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS.C2H6/c1-9(2,3)13(12)11-8-4-7(5-8)6-10;1-2/h7-8,11H,4-5H2,1-3H3;1-2H3.
What are the key properties of N-(3-cyanocyclobutyl)-2-methylpropane-2-sulfinamide;ethane?
N-(3-cyanocyclobutyl)-2-methylpropane-2-sulfinamide;ethane has a molecular weight of 230.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanocyclobutyl)-2-methylpropane-2-sulfinamide;ethane is sourced from PubChem (CID 144981761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).