(R)-N-[(2R,3S)-2-(6-bromo-3-fluoro-2-pyridinyl)-3-fluoropent-4-en-2-yl]-2-methylpropane-2-sulfinamide

C14H19BrF2N2OS — CID 126682302

IUPAC(R)-N-[(2R,3S)-2-(6-bromo-3-fluoro-2-pyridinyl)-3-fluoropent-4-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESC=C[C@H](F)[C@](C)(N[S@](=O)C(C)(C)C)c1nc(Br)ccc1F
InChIInChI=1S/C14H19BrF2N2OS/c1-6-10(17)14(5,19-21(20)13(2,3)4)12-9(16)7-8-11(15)18-12/h6-8,10,19H,1H2,2-5H3/t10-,14-,21+/m0/s1
InChIKeyWFWDKHWTXXNXGO-GUEQVVBPSA-N
MW381.29 g/mol
LogP3.77
Rot. Bonds5

About (R)-N-[(2R,3S)-2-(6-bromo-3-fluoro-2-pyridinyl)-3-fluoropent-4-en-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(2R,3S)-2-(6-bromo-3-fluoro-2-pyridinyl)-3-fluoropent-4-en-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 126682302) has the molecular formula C14H19BrF2N2OS and a molecular weight of 381.29 g/mol. Its IUPAC name is (R)-N-[(2R,3S)-2-(6-bromo-3-fluoro-2-pyridinyl)-3-fluoropent-4-en-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(2R,3S)-2-(6-bromo-3-fluoro-2-pyridinyl)-3-fluoropent-4-en-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID126682302
Molecular FormulaC14H19BrF2N2OS
Molecular Weight381.29 g/mol
Exact Mass380.04
IUPAC Name(R)-N-[(2R,3S)-2-(6-bromo-3-fluoro-2-pyridinyl)-3-fluoropent-4-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESC=C[C@H](F)[C@](C)(N[S@](=O)C(C)(C)C)c1nc(Br)ccc1F
InChIInChI=1S/C14H19BrF2N2OS/c1-6-10(17)14(5,19-21(20)13(2,3)4)12-9(16)7-8-11(15)18-12/h6-8,10,19H,1H2,2-5H3/t10-,14-,21+/m0/s1
InChIKeyWFWDKHWTXXNXGO-GUEQVVBPSA-N
XLogP3.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(2R,3S)-2-(6-bromo-3-fluoro-2-pyridinyl)-3-fluoropent-4-en-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(2R,3S)-2-(6-bromo-3-fluoro-2-pyridinyl)-3-fluoropent-4-en-2-yl]-2-methylpropane-2-sulfinamide (CID 126682302) is (R)-N-[(2R,3S)-2-(6-bromo-3-fluoro-2-pyridinyl)-3-fluoropent-4-en-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(2R,3S)-2-(6-bromo-3-fluoro-2-pyridinyl)-3-fluoropent-4-en-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(2R,3S)-2-(6-bromo-3-fluoro-2-pyridinyl)-3-fluoropent-4-en-2-yl]-2-methylpropane-2-sulfinamide is C=C[C@H](F)[C@](C)(N[S@](=O)C(C)(C)C)c1nc(Br)ccc1F.
What is the InChIKey of (R)-N-[(2R,3S)-2-(6-bromo-3-fluoro-2-pyridinyl)-3-fluoropent-4-en-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is WFWDKHWTXXNXGO-GUEQVVBPSA-N. The full InChI is InChI=1S/C14H19BrF2N2OS/c1-6-10(17)14(5,19-21(20)13(2,3)4)12-9(16)7-8-11(15)18-12/h6-8,10,19H,1H2,2-5H3/t10-,14-,21+/m0/s1.
What are the key properties of (R)-N-[(2R,3S)-2-(6-bromo-3-fluoro-2-pyridinyl)-3-fluoropent-4-en-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(2R,3S)-2-(6-bromo-3-fluoro-2-pyridinyl)-3-fluoropent-4-en-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 381.29 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(2R,3S)-2-(6-bromo-3-fluoro-2-pyridinyl)-3-fluoropent-4-en-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 126682302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).