tert-butyl N-(6-methyl-3-trimethylsilylhepta-3,4-dienyl)-N-sulfamoylcarbamate

C16H32N2O4SSi — CID 140887034

IUPACtert-butyl N-(6-methyl-3-trimethylsilylhepta-3,4-dienyl)-N-sulfamoylcarbamate
SMILESCC(C)C=C=C(CCN(C(=O)OC(C)(C)C)S(N)(=O)=O)[Si](C)(C)C
InChIInChI=1S/C16H32N2O4SSi/c1-13(2)9-10-14(24(6,7)8)11-12-18(23(17,20)21)15(19)22-16(3,4)5/h9,13H,11-12H2,1-8H3,(H2,17,20,21)
InChIKeyVJSMSYWMTINEIR-UHFFFAOYSA-N
MW376.60 g/mol
LogP3.43
Rot. Bonds6

About tert-butyl N-(6-methyl-3-trimethylsilylhepta-3,4-dienyl)-N-sulfamoylcarbamate

tert-butyl N-(6-methyl-3-trimethylsilylhepta-3,4-dienyl)-N-sulfamoylcarbamate (PubChem CID 140887034) has the molecular formula C16H32N2O4SSi and a molecular weight of 376.60 g/mol. Its IUPAC name is tert-butyl N-(6-methyl-3-trimethylsilylhepta-3,4-dienyl)-N-sulfamoylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(6-methyl-3-trimethylsilylhepta-3,4-dienyl)-N-sulfamoylcarbamate
PubChem CID140887034
Molecular FormulaC16H32N2O4SSi
Molecular Weight376.60 g/mol
Exact Mass376.19
IUPAC Nametert-butyl N-(6-methyl-3-trimethylsilylhepta-3,4-dienyl)-N-sulfamoylcarbamate
SMILESCC(C)C=C=C(CCN(C(=O)OC(C)(C)C)S(N)(=O)=O)[Si](C)(C)C
InChIInChI=1S/C16H32N2O4SSi/c1-13(2)9-10-14(24(6,7)8)11-12-18(23(17,20)21)15(19)22-16(3,4)5/h9,13H,11-12H2,1-8H3,(H2,17,20,21)
InChIKeyVJSMSYWMTINEIR-UHFFFAOYSA-N
XLogP3.43
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.60
LogP ≤ 53.43
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

tert-butyl N-butyl-N-sulfamoylcarbamate
CID 101365553
3-[2-carboxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 15666718
tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate
CID 105468762
2,6-difluoro-4-[3-[(2-methylpropan-2-yl)oxycarbonyl-sulfamoylamino]prop-1-ynyl]benzoic acid
CID 137497797
tert-butyl N-(tert-butylsulfamoyl)-N-(3-chlorobutyl)carbamate
CID 154708735
methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoate
CID 141040791
tert-butyl (2R,4S)-2-[[(2-methylpropan-2-yl)oxycarbonyl-sulfamoylamino]methyl]-4-sulfanylpyrrolidine-1-carboxylate
CID 10549579
5-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 102278114
tert-butyl 3-[1-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 174810655
methyl (2S,4S)-4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonyl-sulfamoylamino]methyl]pyrrolidine-1-carboxylate
CID 71158962
tert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate
CID 101437485
2-[2-isocyanoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpropanoic acid
CID 59334004

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-methyl-3-trimethylsilylhepta-3,4-dienyl)-N-sulfamoylcarbamate?
The IUPAC name of tert-butyl N-(6-methyl-3-trimethylsilylhepta-3,4-dienyl)-N-sulfamoylcarbamate (CID 140887034) is tert-butyl N-(6-methyl-3-trimethylsilylhepta-3,4-dienyl)-N-sulfamoylcarbamate.
What is the SMILES notation for tert-butyl N-(6-methyl-3-trimethylsilylhepta-3,4-dienyl)-N-sulfamoylcarbamate?
The canonical SMILES for tert-butyl N-(6-methyl-3-trimethylsilylhepta-3,4-dienyl)-N-sulfamoylcarbamate is CC(C)C=C=C(CCN(C(=O)OC(C)(C)C)S(N)(=O)=O)[Si](C)(C)C.
What is the InChIKey of tert-butyl N-(6-methyl-3-trimethylsilylhepta-3,4-dienyl)-N-sulfamoylcarbamate?
The InChIKey is VJSMSYWMTINEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4SSi/c1-13(2)9-10-14(24(6,7)8)11-12-18(23(17,20)21)15(19)22-16(3,4)5/h9,13H,11-12H2,1-8H3,(H2,17,20,21).
What are the key properties of tert-butyl N-(6-methyl-3-trimethylsilylhepta-3,4-dienyl)-N-sulfamoylcarbamate?
tert-butyl N-(6-methyl-3-trimethylsilylhepta-3,4-dienyl)-N-sulfamoylcarbamate has a molecular weight of 376.60 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-methyl-3-trimethylsilylhepta-3,4-dienyl)-N-sulfamoylcarbamate is sourced from PubChem (CID 140887034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).