tert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate

C15H27N3O5S — CID 168716353

IUPACtert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCC1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C15H27N3O5S/c1-15(2,3)23-14(20)17-11-6-4-5-7-12(11)18-9-10(8-13(18)19)24(16,21)22/h10-12H,4-9H2,1-3H3,(H,17,20)(H2,16,21,22)
InChIKeyRLIVDSIBMJHSML-UHFFFAOYSA-N
MW361.46 g/mol
LogP0.71
Rot. Bonds3

About tert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate

tert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate (PubChem CID 168716353) has the molecular formula C15H27N3O5S and a molecular weight of 361.46 g/mol. Its IUPAC name is tert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate
PubChem CID168716353
Molecular FormulaC15H27N3O5S
Molecular Weight361.46 g/mol
Exact Mass361.17
IUPAC Nametert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCC1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C15H27N3O5S/c1-15(2,3)23-14(20)17-11-6-4-5-7-12(11)18-9-10(8-13(18)19)24(16,21)22/h10-12H,4-9H2,1-3H3,(H,17,20)(H2,16,21,22)
InChIKeyRLIVDSIBMJHSML-UHFFFAOYSA-N
XLogP0.71
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate
CID 168698667
tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate
CID 163830103
tert-butyl N-[(1S,2R)-2-formylcyclohexyl]carbamate;tert-butyl N-[(1R,2S)-2-formylcyclohexyl]carbamate
CID 102571710
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
6-[(2R)-2-aminocyclohexyl]-2-[(1R)-2-[6-[(1R)-2-aminocyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate
CID 159249690
tert-butyl N-[(1S,2R)-2-formylcycloheptyl]carbamate
CID 87517913
tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate
CID 129395964
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 20614154
benzyl N-[2-(4-methyl-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate
CID 69031215
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate (CID 168716353) is tert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCCC1N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of tert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate?
The InChIKey is RLIVDSIBMJHSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5S/c1-15(2,3)23-14(20)17-11-6-4-5-7-12(11)18-9-10(8-13(18)19)24(16,21)22/h10-12H,4-9H2,1-3H3,(H,17,20)(H2,16,21,22).
What are the key properties of tert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate?
tert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate has a molecular weight of 361.46 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)cyclohexyl]carbamate is sourced from PubChem (CID 168716353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).