2-methyl-N-[1-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide

C11H21NOS — CID 90318598

IUPAC2-methyl-N-[1-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide
SMILESC=C1CC(C(C)NS(=O)C(C)(C)C)C1
InChIInChI=1S/C11H21NOS/c1-8-6-10(7-8)9(2)12-14(13)11(3,4)5/h9-10,12H,1,6-7H2,2-5H3
InChIKeyJPQGCNFLALHTHK-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.39
Rot. Bonds3

About 2-methyl-N-[1-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide

2-methyl-N-[1-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide (PubChem CID 90318598) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[1-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide
PubChem CID90318598
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-methyl-N-[1-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide
SMILESC=C1CC(C(C)NS(=O)C(C)(C)C)C1
InChIInChI=1S/C11H21NOS/c1-8-6-10(7-8)9(2)12-14(13)11(3,4)5/h9-10,12H,1,6-7H2,2-5H3
InChIKeyJPQGCNFLALHTHK-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[1-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide (CID 90318598) is 2-methyl-N-[1-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[1-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[1-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide is C=C1CC(C(C)NS(=O)C(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[1-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide?
The InChIKey is JPQGCNFLALHTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-8-6-10(7-8)9(2)12-14(13)11(3,4)5/h9-10,12H,1,6-7H2,2-5H3.
What are the key properties of 2-methyl-N-[1-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide?
2-methyl-N-[1-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide has a molecular weight of 215.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 90318598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).