tert-butyl N-(4-pyridin-2-ylsulfonylcuban-1-yl)carbamate

C18H20N2O4S — CID 177242065

IUPACtert-butyl N-(4-pyridin-2-ylsulfonylcuban-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC12C3C4C1C1C2C3C41S(=O)(=O)c1ccccn1
InChIInChI=1S/C18H20N2O4S/c1-16(2,3)24-15(21)20-17-9-12-10(17)14-11(17)13(9)18(12,14)25(22,23)8-6-4-5-7-19-8/h4-7,9-14H,1-3H3,(H,20,21)
InChIKeyGLWXZBAVRQWESV-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.62
Rot. Bonds3

About tert-butyl N-(4-pyridin-2-ylsulfonylcuban-1-yl)carbamate

tert-butyl N-(4-pyridin-2-ylsulfonylcuban-1-yl)carbamate (PubChem CID 177242065) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is tert-butyl N-(4-pyridin-2-ylsulfonylcuban-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-pyridin-2-ylsulfonylcuban-1-yl)carbamate
PubChem CID177242065
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Nametert-butyl N-(4-pyridin-2-ylsulfonylcuban-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC12C3C4C1C1C2C3C41S(=O)(=O)c1ccccn1
InChIInChI=1S/C18H20N2O4S/c1-16(2,3)24-15(21)20-17-9-12-10(17)14-11(17)13(9)18(12,14)25(22,23)8-6-4-5-7-19-8/h4-7,9-14H,1-3H3,(H,20,21)
InChIKeyGLWXZBAVRQWESV-UHFFFAOYSA-N
XLogP1.62
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(4-pyridin-2-ylsulfonylcuban-1-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 67194852
CID 67194852
CID 169104212
CID 169104212
CID 177242058
CID 177242058
CID 178146206
CID 178146206
CID 178146536
CID 178146536
CID 175669583
CID 175669583

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-pyridin-2-ylsulfonylcuban-1-yl)carbamate?
The IUPAC name of tert-butyl N-(4-pyridin-2-ylsulfonylcuban-1-yl)carbamate (CID 177242065) is tert-butyl N-(4-pyridin-2-ylsulfonylcuban-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-pyridin-2-ylsulfonylcuban-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-pyridin-2-ylsulfonylcuban-1-yl)carbamate is CC(C)(C)OC(=O)NC12C3C4C1C1C2C3C41S(=O)(=O)c1ccccn1.
What is the InChIKey of tert-butyl N-(4-pyridin-2-ylsulfonylcuban-1-yl)carbamate?
The InChIKey is GLWXZBAVRQWESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-16(2,3)24-15(21)20-17-9-12-10(17)14-11(17)13(9)18(12,14)25(22,23)8-6-4-5-7-19-8/h4-7,9-14H,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-(4-pyridin-2-ylsulfonylcuban-1-yl)carbamate?
tert-butyl N-(4-pyridin-2-ylsulfonylcuban-1-yl)carbamate has a molecular weight of 360.44 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-pyridin-2-ylsulfonylcuban-1-yl)carbamate is sourced from PubChem (CID 177242065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).