2-methyl-N-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide

C11H21NOS — CID 164871827

IUPAC2-methyl-N-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide
SMILESC=CCC1(NS(=O)C(C)(C)C)CCC1
InChIInChI=1S/C11H21NOS/c1-5-7-11(8-6-9-11)12-14(13)10(2,3)4/h5,12H,1,6-9H2,2-4H3
InChIKeyHOMZVUFFKVDXCB-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.54
Rot. Bonds4

About 2-methyl-N-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide

2-methyl-N-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide (PubChem CID 164871827) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-methyl-N-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide
PubChem CID164871827
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-methyl-N-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide
SMILESC=CCC1(NS(=O)C(C)(C)C)CCC1
InChIInChI=1S/C11H21NOS/c1-5-7-11(8-6-9-11)12-14(13)10(2,3)4/h5,12H,1,6-9H2,2-4H3
InChIKeyHOMZVUFFKVDXCB-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
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-prop-2-enylcyclobutyl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide (CID 164871827) is 2-methyl-N-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide is C=CCC1(NS(=O)C(C)(C)C)CCC1.
What is the InChIKey of 2-methyl-N-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide?
The InChIKey is HOMZVUFFKVDXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-5-7-11(8-6-9-11)12-14(13)10(2,3)4/h5,12H,1,6-9H2,2-4H3.
What are the key properties of 2-methyl-N-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide?
2-methyl-N-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide has a molecular weight of 215.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-prop-2-enylcyclobutyl)propane-2-sulfinamide is sourced from PubChem (CID 164871827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).