N-(2,2-difluoro-1-methoxyethyl)-2-methylpropane-2-sulfinamide;ethane

C9H21F2NO2S — CID 166148121

IUPACN-(2,2-difluoro-1-methoxyethyl)-2-methylpropane-2-sulfinamide;ethane
SMILESCC.COC(NS(=O)C(C)(C)C)C(F)F
InChIInChI=1S/C7H15F2NO2S.C2H6/c1-7(2,3)13(11)10-6(12-4)5(8)9;1-2/h5-6,10H,1-4H3;1-2H3
InChIKeyQYDYCWYRRGNAHR-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.30
Rot. Bonds4

About N-(2,2-difluoro-1-methoxyethyl)-2-methylpropane-2-sulfinamide;ethane

N-(2,2-difluoro-1-methoxyethyl)-2-methylpropane-2-sulfinamide;ethane (PubChem CID 166148121) has the molecular formula C9H21F2NO2S and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(2,2-difluoro-1-methoxyethyl)-2-methylpropane-2-sulfinamide;ethane.

Molecular Properties

Compound NameN-(2,2-difluoro-1-methoxyethyl)-2-methylpropane-2-sulfinamide;ethane
PubChem CID166148121
Molecular FormulaC9H21F2NO2S
Molecular Weight245.33 g/mol
Exact Mass245.13
IUPAC NameN-(2,2-difluoro-1-methoxyethyl)-2-methylpropane-2-sulfinamide;ethane
SMILESCC.COC(NS(=O)C(C)(C)C)C(F)F
InChIInChI=1S/C7H15F2NO2S.C2H6/c1-7(2,3)13(11)10-6(12-4)5(8)9;1-2/h5-6,10H,1-4H3;1-2H3
InChIKeyQYDYCWYRRGNAHR-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
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-(2,2-difluoro-1-methoxyethyl)-2-methylpropane-2-sulfinamide;ethane?
The IUPAC name of N-(2,2-difluoro-1-methoxyethyl)-2-methylpropane-2-sulfinamide;ethane (CID 166148121) is N-(2,2-difluoro-1-methoxyethyl)-2-methylpropane-2-sulfinamide;ethane.
What is the SMILES notation for N-(2,2-difluoro-1-methoxyethyl)-2-methylpropane-2-sulfinamide;ethane?
The canonical SMILES for N-(2,2-difluoro-1-methoxyethyl)-2-methylpropane-2-sulfinamide;ethane is CC.COC(NS(=O)C(C)(C)C)C(F)F.
What is the InChIKey of N-(2,2-difluoro-1-methoxyethyl)-2-methylpropane-2-sulfinamide;ethane?
The InChIKey is QYDYCWYRRGNAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO2S.C2H6/c1-7(2,3)13(11)10-6(12-4)5(8)9;1-2/h5-6,10H,1-4H3;1-2H3.
What are the key properties of N-(2,2-difluoro-1-methoxyethyl)-2-methylpropane-2-sulfinamide;ethane?
N-(2,2-difluoro-1-methoxyethyl)-2-methylpropane-2-sulfinamide;ethane has a molecular weight of 245.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1-methoxyethyl)-2-methylpropane-2-sulfinamide;ethane is sourced from PubChem (CID 166148121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).