(R)-N-[(S)-(3,4-difluorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]-2-methylpropane-2-sulfinamide

C17H20F2N2O2S — CID 66873000

IUPAC(R)-N-[(S)-(3,4-difluorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](c1ccc(F)c(F)c1)c1ccc(CO)cn1
InChIInChI=1S/C17H20F2N2O2S/c1-17(2,3)24(23)21-16(12-5-6-13(18)14(19)8-12)15-7-4-11(10-22)9-20-15/h4-9,16,21-22H,10H2,1-3H3/t16-,24+/m0/s1
InChIKeyCGNMDCFJFXWBJJ-UPCLLVRISA-N
MW354.42 g/mol
LogP2.99
Rot. Bonds5

About (R)-N-[(S)-(3,4-difluorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]-2-methylpropane-2-sulfinamide

(R)-N-[(S)-(3,4-difluorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]-2-methylpropane-2-sulfinamide (PubChem CID 66873000) has the molecular formula C17H20F2N2O2S and a molecular weight of 354.42 g/mol. Its IUPAC name is (R)-N-[(S)-(3,4-difluorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(S)-(3,4-difluorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]-2-methylpropane-2-sulfinamide
PubChem CID66873000
Molecular FormulaC17H20F2N2O2S
Molecular Weight354.42 g/mol
Exact Mass354.12
IUPAC Name(R)-N-[(S)-(3,4-difluorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](c1ccc(F)c(F)c1)c1ccc(CO)cn1
InChIInChI=1S/C17H20F2N2O2S/c1-17(2,3)24(23)21-16(12-5-6-13(18)14(19)8-12)15-7-4-11(10-22)9-20-15/h4-9,16,21-22H,10H2,1-3H3/t16-,24+/m0/s1
InChIKeyCGNMDCFJFXWBJJ-UPCLLVRISA-N
XLogP2.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(S)-(3,4-difluorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(S)-(3,4-difluorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]-2-methylpropane-2-sulfinamide (CID 66873000) is (R)-N-[(S)-(3,4-difluorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(S)-(3,4-difluorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(S)-(3,4-difluorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H](c1ccc(F)c(F)c1)c1ccc(CO)cn1.
What is the InChIKey of (R)-N-[(S)-(3,4-difluorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is CGNMDCFJFXWBJJ-UPCLLVRISA-N. The full InChI is InChI=1S/C17H20F2N2O2S/c1-17(2,3)24(23)21-16(12-5-6-13(18)14(19)8-12)15-7-4-11(10-22)9-20-15/h4-9,16,21-22H,10H2,1-3H3/t16-,24+/m0/s1.
What are the key properties of (R)-N-[(S)-(3,4-difluorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(S)-(3,4-difluorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 354.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(S)-(3,4-difluorophenyl)-[5-(hydroxymethyl)-2-pyridinyl]methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 66873000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).