tert-butyl 4-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfonyl]piperidine-1-carboxylate

C13H21N3O6S3 — CID 151137736

IUPACtert-butyl 4-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfonyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ncc(S(N)(=O)=O)s2)CC1
InChIInChI=1S/C13H21N3O6S3/c1-13(2,3)22-12(17)16-6-4-9(5-7-16)24(18,19)11-15-8-10(23-11)25(14,20)21/h8-9H,4-7H2,1-3H3,(H2,14,20,21)
InChIKeyMVNWJQJYFSRGFY-UHFFFAOYSA-N
MW411.53 g/mol
LogP0.96
Rot. Bonds3

About tert-butyl 4-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfonyl]piperidine-1-carboxylate

tert-butyl 4-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfonyl]piperidine-1-carboxylate (PubChem CID 151137736) has the molecular formula C13H21N3O6S3 and a molecular weight of 411.53 g/mol. Its IUPAC name is tert-butyl 4-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfonyl]piperidine-1-carboxylate
PubChem CID151137736
Molecular FormulaC13H21N3O6S3
Molecular Weight411.53 g/mol
Exact Mass411.06
IUPAC Nametert-butyl 4-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfonyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ncc(S(N)(=O)=O)s2)CC1
InChIInChI=1S/C13H21N3O6S3/c1-13(2,3)22-12(17)16-6-4-9(5-7-16)24(18,19)11-15-8-10(23-11)25(14,20)21/h8-9H,4-7H2,1-3H3,(H2,14,20,21)
InChIKeyMVNWJQJYFSRGFY-UHFFFAOYSA-N
XLogP0.96
TPSA136.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfonyl]piperidine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfonyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfonyl]piperidine-1-carboxylate (CID 151137736) is tert-butyl 4-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfonyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfonyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfonyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ncc(S(N)(=O)=O)s2)CC1.
What is the InChIKey of tert-butyl 4-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfonyl]piperidine-1-carboxylate?
The InChIKey is MVNWJQJYFSRGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O6S3/c1-13(2,3)22-12(17)16-6-4-9(5-7-16)24(18,19)11-15-8-10(23-11)25(14,20)21/h8-9H,4-7H2,1-3H3,(H2,14,20,21).
What are the key properties of tert-butyl 4-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfonyl]piperidine-1-carboxylate?
tert-butyl 4-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfonyl]piperidine-1-carboxylate has a molecular weight of 411.53 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5-sulfamoyl-1,3-thiazol-2-yl)sulfonyl]piperidine-1-carboxylate is sourced from PubChem (CID 151137736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).