(4S)-5,5-difluoro-4-(hydroxymethyl)-2-methylpentane-2-sulfinamide

C7H15F2NO2S — CID 171590273

IUPAC(4S)-5,5-difluoro-4-(hydroxymethyl)-2-methylpentane-2-sulfinamide
SMILESCC(C)(C[C@@H](CO)C(F)F)S(N)=O
InChIInChI=1S/C7H15F2NO2S/c1-7(2,13(10)12)3-5(4-11)6(8)9/h5-6,11H,3-4,10H2,1-2H3/t5-,13?/m0/s1
InChIKeyYUEMUIWYGFFRQZ-UOVNDPRFSA-N
MW215.26 g/mol
LogP0.65
Rot. Bonds5

About (4S)-5,5-difluoro-4-(hydroxymethyl)-2-methylpentane-2-sulfinamide

(4S)-5,5-difluoro-4-(hydroxymethyl)-2-methylpentane-2-sulfinamide (PubChem CID 171590273) has the molecular formula C7H15F2NO2S and a molecular weight of 215.26 g/mol. Its IUPAC name is (4S)-5,5-difluoro-4-(hydroxymethyl)-2-methylpentane-2-sulfinamide.

Molecular Properties

Compound Name(4S)-5,5-difluoro-4-(hydroxymethyl)-2-methylpentane-2-sulfinamide
PubChem CID171590273
Molecular FormulaC7H15F2NO2S
Molecular Weight215.26 g/mol
Exact Mass215.08
IUPAC Name(4S)-5,5-difluoro-4-(hydroxymethyl)-2-methylpentane-2-sulfinamide
SMILESCC(C)(C[C@@H](CO)C(F)F)S(N)=O
InChIInChI=1S/C7H15F2NO2S/c1-7(2,13(10)12)3-5(4-11)6(8)9/h5-6,11H,3-4,10H2,1-2H3/t5-,13?/m0/s1
InChIKeyYUEMUIWYGFFRQZ-UOVNDPRFSA-N
XLogP0.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-difluoro-4-(hydroxymethyl)-2-methylpentane-2-sulfinamide?
The IUPAC name of (4S)-5,5-difluoro-4-(hydroxymethyl)-2-methylpentane-2-sulfinamide (CID 171590273) is (4S)-5,5-difluoro-4-(hydroxymethyl)-2-methylpentane-2-sulfinamide.
What is the SMILES notation for (4S)-5,5-difluoro-4-(hydroxymethyl)-2-methylpentane-2-sulfinamide?
The canonical SMILES for (4S)-5,5-difluoro-4-(hydroxymethyl)-2-methylpentane-2-sulfinamide is CC(C)(C[C@@H](CO)C(F)F)S(N)=O.
What is the InChIKey of (4S)-5,5-difluoro-4-(hydroxymethyl)-2-methylpentane-2-sulfinamide?
The InChIKey is YUEMUIWYGFFRQZ-UOVNDPRFSA-N. The full InChI is InChI=1S/C7H15F2NO2S/c1-7(2,13(10)12)3-5(4-11)6(8)9/h5-6,11H,3-4,10H2,1-2H3/t5-,13?/m0/s1.
What are the key properties of (4S)-5,5-difluoro-4-(hydroxymethyl)-2-methylpentane-2-sulfinamide?
(4S)-5,5-difluoro-4-(hydroxymethyl)-2-methylpentane-2-sulfinamide has a molecular weight of 215.26 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-difluoro-4-(hydroxymethyl)-2-methylpentane-2-sulfinamide is sourced from PubChem (CID 171590273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).