tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate

C17H35NO3SSi — CID 21362531

IUPACtert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CSCCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35NO3SSi/c1-16(2,3)21-15(19)18-14-12-22-10-9-13(14)11-20-23(7,8)17(4,5)6/h13-14H,9-12H2,1-8H3,(H,18,19)
InChIKeyGZONQFLVWXCBKO-UHFFFAOYSA-N
MW361.62 g/mol
LogP4.65
Rot. Bonds4

About tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate

tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate (PubChem CID 21362531) has the molecular formula C17H35NO3SSi and a molecular weight of 361.62 g/mol. Its IUPAC name is tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate
PubChem CID21362531
Molecular FormulaC17H35NO3SSi
Molecular Weight361.62 g/mol
Exact Mass361.21
IUPAC Nametert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CSCCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35NO3SSi/c1-16(2,3)21-15(19)18-14-12-22-10-9-13(14)11-20-23(7,8)17(4,5)6/h13-14H,9-12H2,1-8H3,(H,18,19)
InChIKeyGZONQFLVWXCBKO-UHFFFAOYSA-N
XLogP4.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.62
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methylpropan-2-yl)oxycarbonylamino]thiane-4-carboxylic acid
CID 21362472
tert-butyl N-[(3S)-thiolan-3-yl]carbamate
CID 15148694
tert-butyl N-[(3R,4R)-3-formylthian-4-yl]carbamate
CID 59095027
tert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate
CID 10936954
tert-butyl N-(thian-3-yl)carbamate
CID 14024569
tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate
CID 166561133
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
(1S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 59284760
tert-butyl N-[(3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]carbamate
CID 176898296
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone
CID 10422566

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate (CID 21362531) is tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate is CC(C)(C)OC(=O)NC1CSCCC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate?
The InChIKey is GZONQFLVWXCBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3SSi/c1-16(2,3)21-15(19)18-14-12-22-10-9-13(14)11-20-23(7,8)17(4,5)6/h13-14H,9-12H2,1-8H3,(H,18,19).
What are the key properties of tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate?
tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate has a molecular weight of 361.62 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]thian-3-yl]carbamate is sourced from PubChem (CID 21362531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).