N-[(1R)-1-cyclobutylbut-3-enyl]-2-methylpropane-2-sulfinamide

C12H23NOS — CID 118558970

IUPACN-[(1R)-1-cyclobutylbut-3-enyl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@@H](NS(=O)C(C)(C)C)C1CCC1
InChIInChI=1S/C12H23NOS/c1-5-7-11(10-8-6-9-10)13-15(14)12(2,3)4/h5,10-11,13H,1,6-9H2,2-4H3/t11-,15?/m1/s1
InChIKeyKCTOSURCPPPGLG-ZRKZCGFPSA-N
MW229.39 g/mol
LogP2.78
Rot. Bonds5

About N-[(1R)-1-cyclobutylbut-3-enyl]-2-methylpropane-2-sulfinamide

N-[(1R)-1-cyclobutylbut-3-enyl]-2-methylpropane-2-sulfinamide (PubChem CID 118558970) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is N-[(1R)-1-cyclobutylbut-3-enyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclobutylbut-3-enyl]-2-methylpropane-2-sulfinamide
PubChem CID118558970
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC NameN-[(1R)-1-cyclobutylbut-3-enyl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@@H](NS(=O)C(C)(C)C)C1CCC1
InChIInChI=1S/C12H23NOS/c1-5-7-11(10-8-6-9-10)13-15(14)12(2,3)4/h5,10-11,13H,1,6-9H2,2-4H3/t11-,15?/m1/s1
InChIKeyKCTOSURCPPPGLG-ZRKZCGFPSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.78
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 N-[(1R)-1-cyclobutylbut-3-enyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R)-1-cyclobutylbut-3-enyl]-2-methylpropane-2-sulfinamide (CID 118558970) is N-[(1R)-1-cyclobutylbut-3-enyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-1-cyclobutylbut-3-enyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R)-1-cyclobutylbut-3-enyl]-2-methylpropane-2-sulfinamide is C=CC[C@@H](NS(=O)C(C)(C)C)C1CCC1.
What is the InChIKey of N-[(1R)-1-cyclobutylbut-3-enyl]-2-methylpropane-2-sulfinamide?
The InChIKey is KCTOSURCPPPGLG-ZRKZCGFPSA-N. The full InChI is InChI=1S/C12H23NOS/c1-5-7-11(10-8-6-9-10)13-15(14)12(2,3)4/h5,10-11,13H,1,6-9H2,2-4H3/t11-,15?/m1/s1.
What are the key properties of N-[(1R)-1-cyclobutylbut-3-enyl]-2-methylpropane-2-sulfinamide?
N-[(1R)-1-cyclobutylbut-3-enyl]-2-methylpropane-2-sulfinamide has a molecular weight of 229.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclobutylbut-3-enyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118558970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).