N-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide

C14H20FNOS — CID 101416892

IUPACN-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@@H](NS(=O)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H20FNOS/c1-5-6-13(16-18(17)14(2,3)4)11-7-9-12(15)10-8-11/h5,7-10,13,16H,1,6H2,2-4H3/t13-,18?/m1/s1
InChIKeyAWCRFUKGFNOILX-YJJYDOSJSA-N
MW269.38 g/mol
LogP3.49
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide

N-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide (PubChem CID 101416892) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide
PubChem CID101416892
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC NameN-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide
SMILESC=CC[C@@H](NS(=O)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H20FNOS/c1-5-6-13(16-18(17)14(2,3)4)11-7-9-12(15)10-8-11/h5,7-10,13,16H,1,6H2,2-4H3/t13-,18?/m1/s1
InChIKeyAWCRFUKGFNOILX-YJJYDOSJSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.49
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-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide (CID 101416892) is N-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide is C=CC[C@@H](NS(=O)C(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide?
The InChIKey is AWCRFUKGFNOILX-YJJYDOSJSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-5-6-13(16-18(17)14(2,3)4)11-7-9-12(15)10-8-11/h5,7-10,13,16H,1,6H2,2-4H3/t13-,18?/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide?
N-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide has a molecular weight of 269.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 101416892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).