tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate

C11H22N2O5S — CID 155097474

IUPACtert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C11H22N2O5S/c1-11(2,3)18-10(14)13-19(15,16)12-8-9-4-6-17-7-5-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyZCTIMEJOOPWPBO-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.77
Rot. Bonds4

About tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate

tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate (PubChem CID 155097474) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate
PubChem CID155097474
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Nametert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C11H22N2O5S/c1-11(2,3)18-10(14)13-19(15,16)12-8-9-4-6-17-7-5-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyZCTIMEJOOPWPBO-UHFFFAOYSA-N
XLogP0.77
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate
CID 107238309
tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
CID 115607413
methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate
CID 106126310
tert-butyl N-[(E)-4-(oxan-4-ylmethylamino)but-2-enyl]carbamate
CID 107253288
tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695505
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoate
CID 7168105
tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate
CID 155097174
tert-butyl N-(2-sulfanylethylsulfamoyl)carbamate
CID 134306753
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
tert-butyl N-[2-cyclopropyl-2-(oxan-4-ylmethylamino)ethyl]carbamate
CID 103745471
tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate
CID 107240362
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]ethyl]azetidine-1-carboxylate
CID 163274972

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate?
The IUPAC name of tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate (CID 155097474) is tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate.
What is the SMILES notation for tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate?
The canonical SMILES for tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate is CC(C)(C)OC(=O)NS(=O)(=O)NCC1CCOCC1.
What is the InChIKey of tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate?
The InChIKey is ZCTIMEJOOPWPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-11(2,3)18-10(14)13-19(15,16)12-8-9-4-6-17-7-5-9/h9,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate?
tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate has a molecular weight of 294.37 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate is sourced from PubChem (CID 155097474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).