tert-butyl N-[3-[[(2-nitrosophenyl)sulfonylamino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate

C17H23N3O5S — CID 170112937

IUPACtert-butyl N-[3-[[(2-nitrosophenyl)sulfonylamino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate
SMILESCC(C)(C)OC(=O)NC12CC(CNS(=O)(=O)c3ccccc3N=O)(C1)C2
InChIInChI=1S/C17H23N3O5S/c1-15(2,3)25-14(21)19-17-8-16(9-17,10-17)11-18-26(23,24)13-7-5-4-6-12(13)20-22/h4-7,18H,8-11H2,1-3H3,(H,19,21)
InChIKeyZHCSMBQPQJRJHZ-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.81
Rot. Bonds6

About tert-butyl N-[3-[[(2-nitrosophenyl)sulfonylamino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate

tert-butyl N-[3-[[(2-nitrosophenyl)sulfonylamino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate (PubChem CID 170112937) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is tert-butyl N-[3-[[(2-nitrosophenyl)sulfonylamino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(2-nitrosophenyl)sulfonylamino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate
PubChem CID170112937
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC Nametert-butyl N-[3-[[(2-nitrosophenyl)sulfonylamino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate
SMILESCC(C)(C)OC(=O)NC12CC(CNS(=O)(=O)c3ccccc3N=O)(C1)C2
InChIInChI=1S/C17H23N3O5S/c1-15(2,3)25-14(21)19-17-8-16(9-17,10-17)11-18-26(23,24)13-7-5-4-6-12(13)20-22/h4-7,18H,8-11H2,1-3H3,(H,19,21)
InChIKeyZHCSMBQPQJRJHZ-UHFFFAOYSA-N
XLogP2.81
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-[[(2-nitrosophenyl)sulfonylamino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 169150003
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl]ethanesulfonic acid
CID 149160052
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl]methyl 4-(trifluoromethyl)benzenesulfonate
CID 134330597
tert-butyl N-[3-(2-amino-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 146204169
tert-butyl N-[3-(aminomethylsulfonyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 156832537
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] methanesulfonate
CID 175968512
tert-butyl N-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate
CID 177092415
tert-butyl N-[3-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate
CID 168861677
benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[2.2.2]octanyl]carbamate
CID 135397622
tert-butyl N-(3-benzyl-5-fluoro-3-azabicyclo[3.1.1]heptan-1-yl)carbamate
CID 139713311
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate
CID 168724937
tert-butyl N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)oxymethyl]-1-bicyclo[2.2.1]heptanyl]carbamate
CID 163818123

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(2-nitrosophenyl)sulfonylamino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(2-nitrosophenyl)sulfonylamino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate (CID 170112937) is tert-butyl N-[3-[[(2-nitrosophenyl)sulfonylamino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(2-nitrosophenyl)sulfonylamino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(2-nitrosophenyl)sulfonylamino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate is CC(C)(C)OC(=O)NC12CC(CNS(=O)(=O)c3ccccc3N=O)(C1)C2.
What is the InChIKey of tert-butyl N-[3-[[(2-nitrosophenyl)sulfonylamino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate?
The InChIKey is ZHCSMBQPQJRJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-15(2,3)25-14(21)19-17-8-16(9-17,10-17)11-18-26(23,24)13-7-5-4-6-12(13)20-22/h4-7,18H,8-11H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[3-[[(2-nitrosophenyl)sulfonylamino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate?
tert-butyl N-[3-[[(2-nitrosophenyl)sulfonylamino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate has a molecular weight of 381.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(2-nitrosophenyl)sulfonylamino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamate is sourced from PubChem (CID 170112937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).