(R)-N-[(1R)-1-[4-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)indol-6-yl]ethyl]-2-methylpropane-2-sulfinamide

C21H34F2N2O2SSi — CID 156681762

IUPAC(R)-N-[(1R)-1-[4-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)indol-6-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cc(C(F)F)c2ccn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C21H34F2N2O2SSi/c1-15(24-28(26)21(2,3)4)16-12-18(20(22)23)17-8-9-25(19(17)13-16)14-27-10-11-29(5,6)7/h8-9,12-13,15,20,24H,10-11,14H2,1-7H3/t15-,28-/m1/s1
InChIKeyWVIXIYJEFVUORO-WQIZZMQYSA-N
MW444.66 g/mol
LogP6.00
Rot. Bonds9

About (R)-N-[(1R)-1-[4-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)indol-6-yl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-[4-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)indol-6-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 156681762) has the molecular formula C21H34F2N2O2SSi and a molecular weight of 444.66 g/mol. Its IUPAC name is (R)-N-[(1R)-1-[4-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)indol-6-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-[4-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)indol-6-yl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID156681762
Molecular FormulaC21H34F2N2O2SSi
Molecular Weight444.66 g/mol
Exact Mass444.21
IUPAC Name(R)-N-[(1R)-1-[4-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)indol-6-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cc(C(F)F)c2ccn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C21H34F2N2O2SSi/c1-15(24-28(26)21(2,3)4)16-12-18(20(22)23)17-8-9-25(19(17)13-16)14-27-10-11-29(5,6)7/h8-9,12-13,15,20,24H,10-11,14H2,1-7H3/t15-,28-/m1/s1
InChIKeyWVIXIYJEFVUORO-WQIZZMQYSA-N
XLogP6.00
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.66
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(S)-N-[cyclopropyl-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]methyl]-2-methylpropane-2-sulfinamide
CID 171777693
2-[(4-bromo-6-chloroindol-1-yl)methoxy]ethyl-trimethylsilane
CID 140807311
N-[(1R,2R)-1-[5-[(1S)-1-amino-2-methoxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide
CID 175863949
(S)-N-[(1R)-1-[5-[(1R)-1-(1,3-dioxoisoindol-2-yl)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-4,4,4-trifluoro-3,3-dimethylbutyl]-2-methylpropane-2-sulfinamide
CID 171777679
(R)-N-[(1R)-1-[5-[(1S)-1-amino-2-methoxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-2-methylpropane-2-sulfinamide
CID 171778899
(R)-2-methyl-N-[(1R)-1-(3-methyl-1,2-benzoxazol-5-yl)ethyl]propane-2-sulfinamide
CID 166529161
2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane
CID 131736189
N-[(1R,2R)-1-[5-[(1S)-1-amino-2-cyclopropyloxyethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]-2-methylpropane-2-sulfinamide
CID 172509196
N-[1-[4-(2,2-difluoroethoxy)-3,5-dimethylphenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 87426573
N-[(1R)-1-[2-[(1R)-1-[[(R)-tert-butylsulfinyl]amino]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]-2-(3,3-difluorocyclobutyl)acetamide
CID 171777718
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707
4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide
CID 175873640

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-[4-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)indol-6-yl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-[4-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)indol-6-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 156681762) is (R)-N-[(1R)-1-[4-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)indol-6-yl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-[4-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)indol-6-yl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-[4-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)indol-6-yl]ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](N[S@](=O)C(C)(C)C)c1cc(C(F)F)c2ccn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of (R)-N-[(1R)-1-[4-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)indol-6-yl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is WVIXIYJEFVUORO-WQIZZMQYSA-N. The full InChI is InChI=1S/C21H34F2N2O2SSi/c1-15(24-28(26)21(2,3)4)16-12-18(20(22)23)17-8-9-25(19(17)13-16)14-27-10-11-29(5,6)7/h8-9,12-13,15,20,24H,10-11,14H2,1-7H3/t15-,28-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-[4-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)indol-6-yl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-[4-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)indol-6-yl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 444.66 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-[4-(difluoromethyl)-1-(2-trimethylsilylethoxymethyl)indol-6-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 156681762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).