tert-butyl N-(4-dimethylsilyl-4-sulfanylbutyl)carbamate

C11H25NO2SSi — CID 157236536

IUPACtert-butyl N-(4-dimethylsilyl-4-sulfanylbutyl)carbamate
SMILESC[SiH](C)C(S)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H25NO2SSi/c1-11(2,3)14-10(13)12-8-6-7-9(15)16(4)5/h9,15-16H,6-8H2,1-5H3,(H,12,13)
InChIKeyXZFXUSBWGYAIRB-UHFFFAOYSA-N
MW263.48 g/mol
LogP2.62
Rot. Bonds5

About tert-butyl N-(4-dimethylsilyl-4-sulfanylbutyl)carbamate

tert-butyl N-(4-dimethylsilyl-4-sulfanylbutyl)carbamate (PubChem CID 157236536) has the molecular formula C11H25NO2SSi and a molecular weight of 263.48 g/mol. Its IUPAC name is tert-butyl N-(4-dimethylsilyl-4-sulfanylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-dimethylsilyl-4-sulfanylbutyl)carbamate
PubChem CID157236536
Molecular FormulaC11H25NO2SSi
Molecular Weight263.48 g/mol
Exact Mass263.14
IUPAC Nametert-butyl N-(4-dimethylsilyl-4-sulfanylbutyl)carbamate
SMILESC[SiH](C)C(S)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H25NO2SSi/c1-11(2,3)14-10(13)12-8-6-7-9(15)16(4)5/h9,15-16H,6-8H2,1-5H3,(H,12,13)
InChIKeyXZFXUSBWGYAIRB-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.48
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate
CID 101456179
tert-butyl N-[(4S)-4-methyl-5-oxohexyl]carbamate
CID 168910124
tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate
CID 89422751
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-(4,4-diethoxybutyl)carbamate
CID 11196290
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
(2S)-2-(iodoamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 163663176
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-[6-hydroxy-5-(hydroxymethyl)hexyl]carbamate
CID 142613690

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-dimethylsilyl-4-sulfanylbutyl)carbamate?
The IUPAC name of tert-butyl N-(4-dimethylsilyl-4-sulfanylbutyl)carbamate (CID 157236536) is tert-butyl N-(4-dimethylsilyl-4-sulfanylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-dimethylsilyl-4-sulfanylbutyl)carbamate?
The canonical SMILES for tert-butyl N-(4-dimethylsilyl-4-sulfanylbutyl)carbamate is C[SiH](C)C(S)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-dimethylsilyl-4-sulfanylbutyl)carbamate?
The InChIKey is XZFXUSBWGYAIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2SSi/c1-11(2,3)14-10(13)12-8-6-7-9(15)16(4)5/h9,15-16H,6-8H2,1-5H3,(H,12,13).
What are the key properties of tert-butyl N-(4-dimethylsilyl-4-sulfanylbutyl)carbamate?
tert-butyl N-(4-dimethylsilyl-4-sulfanylbutyl)carbamate has a molecular weight of 263.48 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-dimethylsilyl-4-sulfanylbutyl)carbamate is sourced from PubChem (CID 157236536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).