N-[(R)-(3,5-difluorophenyl)-hydroxymethyl]-2-methylpropane-2-sulfinamide

C11H15F2NO2S — CID 170619325

IUPACN-[(R)-(3,5-difluorophenyl)-hydroxymethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H](O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2NO2S/c1-11(2,3)17(16)14-10(15)7-4-8(12)6-9(13)5-7/h4-6,10,14-15H,1-3H3/t10-,17?/m1/s1
InChIKeyGHIUWQAEWAGPBX-YQDUUYOCSA-N
MW263.31 g/mol
LogP2.01
Rot. Bonds3

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

N-[(R)-(3,5-difluorophenyl)-hydroxymethyl]-2-methylpropane-2-sulfinamide (PubChem CID 170619325) has the molecular formula C11H15F2NO2S and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[(R)-(3,5-difluorophenyl)-hydroxymethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(R)-(3,5-difluorophenyl)-hydroxymethyl]-2-methylpropane-2-sulfinamide
PubChem CID170619325
Molecular FormulaC11H15F2NO2S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC NameN-[(R)-(3,5-difluorophenyl)-hydroxymethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H](O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2NO2S/c1-11(2,3)17(16)14-10(15)7-4-8(12)6-9(13)5-7/h4-6,10,14-15H,1-3H3/t10-,17?/m1/s1
InChIKeyGHIUWQAEWAGPBX-YQDUUYOCSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3,5-difluorophenyl)-hydroxymethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(R)-(3,5-difluorophenyl)-hydroxymethyl]-2-methylpropane-2-sulfinamide (CID 170619325) is N-[(R)-(3,5-difluorophenyl)-hydroxymethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(R)-(3,5-difluorophenyl)-hydroxymethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(R)-(3,5-difluorophenyl)-hydroxymethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@H](O)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(R)-(3,5-difluorophenyl)-hydroxymethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is GHIUWQAEWAGPBX-YQDUUYOCSA-N. The full InChI is InChI=1S/C11H15F2NO2S/c1-11(2,3)17(16)14-10(15)7-4-8(12)6-9(13)5-7/h4-6,10,14-15H,1-3H3/t10-,17?/m1/s1.
What are the key properties of N-[(R)-(3,5-difluorophenyl)-hydroxymethyl]-2-methylpropane-2-sulfinamide?
N-[(R)-(3,5-difluorophenyl)-hydroxymethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 263.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3,5-difluorophenyl)-hydroxymethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170619325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).