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

C11H21NOS — CID 90318599

IUPAC2-methyl-N-[2-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide
SMILESC=C1CC(CCNS(=O)C(C)(C)C)C1
InChIInChI=1S/C11H21NOS/c1-9-7-10(8-9)5-6-12-14(13)11(2,3)4/h10,12H,1,5-8H2,2-4H3
InChIKeyDQKZRFAIOWQAJH-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.39
Rot. Bonds4

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

2-methyl-N-[2-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide (PubChem CID 90318599) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide
PubChem CID90318599
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-methyl-N-[2-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide
SMILESC=C1CC(CCNS(=O)C(C)(C)C)C1
InChIInChI=1S/C11H21NOS/c1-9-7-10(8-9)5-6-12-14(13)11(2,3)4/h10,12H,1,5-8H2,2-4H3
InChIKeyDQKZRFAIOWQAJH-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-[2-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[2-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide (CID 90318599) is 2-methyl-N-[2-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[2-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[2-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide is C=C1CC(CCNS(=O)C(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[2-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide?
The InChIKey is DQKZRFAIOWQAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9-7-10(8-9)5-6-12-14(13)11(2,3)4/h10,12H,1,5-8H2,2-4H3.
What are the key properties of 2-methyl-N-[2-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide?
2-methyl-N-[2-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide has a molecular weight of 215.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 90318599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).