N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide

C16H32N2O2S2Si — CID 140684190

IUPACN-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1cnc([C@H](CO[Si](C)(C)C(C)(C)C)NS(=O)C(C)(C)C)s1
InChIInChI=1S/C16H32N2O2S2Si/c1-12-10-17-14(21-12)13(18-22(19)15(2,3)4)11-20-23(8,9)16(5,6)7/h10,13,18H,11H2,1-9H3/t13-,22?/m0/s1
InChIKeyUZBHQGUULHHUKR-JHAYDQECSA-N
MW376.66 g/mol
LogP4.57
Rot. Bonds6

About N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide

N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 140684190) has the molecular formula C16H32N2O2S2Si and a molecular weight of 376.66 g/mol. Its IUPAC name is N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID140684190
Molecular FormulaC16H32N2O2S2Si
Molecular Weight376.66 g/mol
Exact Mass376.17
IUPAC NameN-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1cnc([C@H](CO[Si](C)(C)C(C)(C)C)NS(=O)C(C)(C)C)s1
InChIInChI=1S/C16H32N2O2S2Si/c1-12-10-17-14(21-12)13(18-22(19)15(2,3)4)11-20-23(8,9)16(5,6)7/h10,13,18H,11H2,1-9H3/t13-,22?/m0/s1
InChIKeyUZBHQGUULHHUKR-JHAYDQECSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.66
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide (CID 140684190) is N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide is Cc1cnc([C@H](CO[Si](C)(C)C(C)(C)C)NS(=O)C(C)(C)C)s1.
What is the InChIKey of N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is UZBHQGUULHHUKR-JHAYDQECSA-N. The full InChI is InChI=1S/C16H32N2O2S2Si/c1-12-10-17-14(21-12)13(18-22(19)15(2,3)4)11-20-23(8,9)16(5,6)7/h10,13,18H,11H2,1-9H3/t13-,22?/m0/s1.
What are the key properties of N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide?
N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 376.66 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 140684190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).