N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide

C22H46N2O3S2Si2 — CID 67269894

IUPACN-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](c1nccs1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46N2O3S2Si2/c1-20(2,3)29(25)24-18(19-23-14-15-28-19)17(27-31(12,13)22(7,8)9)16-26-30(10,11)21(4,5)6/h14-15,17-18,24H,16H2,1-13H3/t17-,18-,29?/m1/s1
InChIKeyMHMFVIKBGCLOKL-DJUHPNNNSA-N
MW506.93 g/mol
LogP6.65
Rot. Bonds9

About N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide

N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide (PubChem CID 67269894) has the molecular formula C22H46N2O3S2Si2 and a molecular weight of 506.93 g/mol. Its IUPAC name is N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide
PubChem CID67269894
Molecular FormulaC22H46N2O3S2Si2
Molecular Weight506.93 g/mol
Exact Mass506.25
IUPAC NameN-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](c1nccs1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46N2O3S2Si2/c1-20(2,3)29(25)24-18(19-23-14-15-28-19)17(27-31(12,13)22(7,8)9)16-26-30(10,11)21(4,5)6/h14-15,17-18,24H,16H2,1-13H3/t17-,18-,29?/m1/s1
InChIKeyMHMFVIKBGCLOKL-DJUHPNNNSA-N
XLogP6.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.93
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide (CID 67269894) is N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H](c1nccs1)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is MHMFVIKBGCLOKL-DJUHPNNNSA-N. The full InChI is InChI=1S/C22H46N2O3S2Si2/c1-20(2,3)29(25)24-18(19-23-14-15-28-19)17(27-31(12,13)22(7,8)9)16-26-30(10,11)21(4,5)6/h14-15,17-18,24H,16H2,1-13H3/t17-,18-,29?/m1/s1.
What are the key properties of N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide?
N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 506.93 g/mol, XLogP of 6.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(1,3-thiazol-2-yl)propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 67269894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).