tert-butyl N-(1-sulfamoylpyrrolidin-3-yl)carbamate

C9H19N3O4S — CID 57434349

IUPACtert-butyl N-(1-sulfamoylpyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(S(N)(=O)=O)C1
InChIInChI=1S/C9H19N3O4S/c1-9(2,3)16-8(13)11-7-4-5-12(6-7)17(10,14)15/h7H,4-6H2,1-3H3,(H,11,13)(H2,10,14,15)
InChIKeyBPOCKVSKQQZVBA-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.21
Rot. Bonds2

About tert-butyl N-(1-sulfamoylpyrrolidin-3-yl)carbamate

tert-butyl N-(1-sulfamoylpyrrolidin-3-yl)carbamate (PubChem CID 57434349) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is tert-butyl N-(1-sulfamoylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-sulfamoylpyrrolidin-3-yl)carbamate
PubChem CID57434349
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC Nametert-butyl N-(1-sulfamoylpyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(S(N)(=O)=O)C1
InChIInChI=1S/C9H19N3O4S/c1-9(2,3)16-8(13)11-7-4-5-12(6-7)17(10,14)15/h7H,4-6H2,1-3H3,(H,11,13)(H2,10,14,15)
InChIKeyBPOCKVSKQQZVBA-UHFFFAOYSA-N
XLogP-0.21
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-sulfamoylpyrrolidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-sulfamoylpyrrolidin-3-yl)carbamate (CID 57434349) is tert-butyl N-(1-sulfamoylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-sulfamoylpyrrolidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-sulfamoylpyrrolidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CCN(S(N)(=O)=O)C1.
What is the InChIKey of tert-butyl N-(1-sulfamoylpyrrolidin-3-yl)carbamate?
The InChIKey is BPOCKVSKQQZVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-9(2,3)16-8(13)11-7-4-5-12(6-7)17(10,14)15/h7H,4-6H2,1-3H3,(H,11,13)(H2,10,14,15).
What are the key properties of tert-butyl N-(1-sulfamoylpyrrolidin-3-yl)carbamate?
tert-butyl N-(1-sulfamoylpyrrolidin-3-yl)carbamate has a molecular weight of 265.33 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-sulfamoylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 57434349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).