tert-butyl N-[4-(2-trimethylsilylethylsulfonylamino)butyl]carbamate

C14H32N2O4SSi — CID 10665725

IUPACtert-butyl N-[4-(2-trimethylsilylethylsulfonylamino)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCNS(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C14H32N2O4SSi/c1-14(2,3)20-13(17)15-9-7-8-10-16-21(18,19)11-12-22(4,5)6/h16H,7-12H2,1-6H3,(H,15,17)
InChIKeyFVTXIQNOGWESRK-UHFFFAOYSA-N
MW352.57 g/mol
LogP2.55
Rot. Bonds9

About tert-butyl N-[4-(2-trimethylsilylethylsulfonylamino)butyl]carbamate

tert-butyl N-[4-(2-trimethylsilylethylsulfonylamino)butyl]carbamate (PubChem CID 10665725) has the molecular formula C14H32N2O4SSi and a molecular weight of 352.57 g/mol. Its IUPAC name is tert-butyl N-[4-(2-trimethylsilylethylsulfonylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-trimethylsilylethylsulfonylamino)butyl]carbamate
PubChem CID10665725
Molecular FormulaC14H32N2O4SSi
Molecular Weight352.57 g/mol
Exact Mass352.19
IUPAC Nametert-butyl N-[4-(2-trimethylsilylethylsulfonylamino)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCNS(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C14H32N2O4SSi/c1-14(2,3)20-13(17)15-9-7-8-10-16-21(18,19)11-12-22(4,5)6/h16H,7-12H2,1-6H3,(H,15,17)
InChIKeyFVTXIQNOGWESRK-UHFFFAOYSA-N
XLogP2.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 114518054
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfamoyl]butanoic acid
CID 114518052
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]propanoic acid
CID 114518059
tert-butyl N-(5-sulfamoylpentyl)carbamate
CID 166997835
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanesulfonic acid;hydrochloride
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tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]acetic acid
CID 114518058
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butylsulfamoyl]acetate
CID 10648462
N-(3-aminopropyl)methanesulfonamide;tert-butyl N-[3-(methanesulfonamido)propyl]carbamate
CID 157413343
tert-butyl N-(10-methoxysulfonothioyldecyl)carbamate
CID 5052278
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-trimethylsilylethylsulfonylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-trimethylsilylethylsulfonylamino)butyl]carbamate (CID 10665725) is tert-butyl N-[4-(2-trimethylsilylethylsulfonylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-trimethylsilylethylsulfonylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-trimethylsilylethylsulfonylamino)butyl]carbamate is CC(C)(C)OC(=O)NCCCCNS(=O)(=O)CC[Si](C)(C)C.
What is the InChIKey of tert-butyl N-[4-(2-trimethylsilylethylsulfonylamino)butyl]carbamate?
The InChIKey is FVTXIQNOGWESRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O4SSi/c1-14(2,3)20-13(17)15-9-7-8-10-16-21(18,19)11-12-22(4,5)6/h16H,7-12H2,1-6H3,(H,15,17).
What are the key properties of tert-butyl N-[4-(2-trimethylsilylethylsulfonylamino)butyl]carbamate?
tert-butyl N-[4-(2-trimethylsilylethylsulfonylamino)butyl]carbamate has a molecular weight of 352.57 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-trimethylsilylethylsulfonylamino)butyl]carbamate is sourced from PubChem (CID 10665725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).