(R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide

C17H21FN2OS — CID 122491233

IUPAC(R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(N[S@](=O)C(C)(C)C)c1ccnc(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H21FN2OS/c1-12(20-22(21)17(2,3)4)14-9-10-19-16(11-14)13-5-7-15(18)8-6-13/h5-12,20H,1-4H3/t12?,22-/m1/s1
InChIKeyVHQDIZXALRPBJW-QUBVVNMWSA-N
MW320.43 g/mol
LogP4.00
Rot. Bonds4

About (R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 122491233) has the molecular formula C17H21FN2OS and a molecular weight of 320.43 g/mol. Its IUPAC name is (R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID122491233
Molecular FormulaC17H21FN2OS
Molecular Weight320.43 g/mol
Exact Mass320.14
IUPAC Name(R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(N[S@](=O)C(C)(C)C)c1ccnc(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H21FN2OS/c1-12(20-22(21)17(2,3)4)14-9-10-19-16(11-14)13-5-7-15(18)8-6-13/h5-12,20H,1-4H3/t12?,22-/m1/s1
InChIKeyVHQDIZXALRPBJW-QUBVVNMWSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide (CID 122491233) is (R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide is CC(N[S@](=O)C(C)(C)C)c1ccnc(-c2ccc(F)cc2)c1.
What is the InChIKey of (R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is VHQDIZXALRPBJW-QUBVVNMWSA-N. The full InChI is InChI=1S/C17H21FN2OS/c1-12(20-22(21)17(2,3)4)14-9-10-19-16(11-14)13-5-7-15(18)8-6-13/h5-12,20H,1-4H3/t12?,22-/m1/s1.
What are the key properties of (R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 320.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 122491233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).