tert-butyl N-(3-pyridin-2-ylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamate

C15H20N2O4S — CID 175669583

IUPACtert-butyl N-(3-pyridin-2-ylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamate
SMILESCC(C)(C)OC(=O)NC12CC(S(=O)(=O)c3ccccn3)(C1)C2
InChIInChI=1S/C15H20N2O4S/c1-13(2,3)21-12(18)17-14-8-15(9-14,10-14)22(19,20)11-6-4-5-7-16-11/h4-7H,8-10H2,1-3H3,(H,17,18)
InChIKeyZHASANOGUXQUKT-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.06
Rot. Bonds3

About tert-butyl N-(3-pyridin-2-ylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamate

tert-butyl N-(3-pyridin-2-ylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 175669583) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is tert-butyl N-(3-pyridin-2-ylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-pyridin-2-ylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID175669583
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Nametert-butyl N-(3-pyridin-2-ylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamate
SMILESCC(C)(C)OC(=O)NC12CC(S(=O)(=O)c3ccccn3)(C1)C2
InChIInChI=1S/C15H20N2O4S/c1-13(2,3)21-12(18)17-14-8-15(9-14,10-14)22(19,20)11-6-4-5-7-16-11/h4-7H,8-10H2,1-3H3,(H,17,18)
InChIKeyZHASANOGUXQUKT-UHFFFAOYSA-N
XLogP2.06
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-pyridin-2-ylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamate?
The IUPAC name of tert-butyl N-(3-pyridin-2-ylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamate (CID 175669583) is tert-butyl N-(3-pyridin-2-ylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-pyridin-2-ylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamate?
The canonical SMILES for tert-butyl N-(3-pyridin-2-ylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamate is CC(C)(C)OC(=O)NC12CC(S(=O)(=O)c3ccccn3)(C1)C2.
What is the InChIKey of tert-butyl N-(3-pyridin-2-ylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamate?
The InChIKey is ZHASANOGUXQUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-13(2,3)21-12(18)17-14-8-15(9-14,10-14)22(19,20)11-6-4-5-7-16-11/h4-7H,8-10H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-(3-pyridin-2-ylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamate?
tert-butyl N-(3-pyridin-2-ylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 324.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-pyridin-2-ylsulfonyl-1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 175669583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).