tert-butyl 4-(1,3-thiazol-2-ylsulfonyl)piperidine-1-carboxylate

C13H20N2O4S2 — CID 66934230

IUPACtert-butyl 4-(1,3-thiazol-2-ylsulfonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2nccs2)CC1
InChIInChI=1S/C13H20N2O4S2/c1-13(2,3)19-12(16)15-7-4-10(5-8-15)21(17,18)11-14-6-9-20-11/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyJNHSXYMNWXUDEF-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.32
Rot. Bonds2

About tert-butyl 4-(1,3-thiazol-2-ylsulfonyl)piperidine-1-carboxylate

tert-butyl 4-(1,3-thiazol-2-ylsulfonyl)piperidine-1-carboxylate (PubChem CID 66934230) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is tert-butyl 4-(1,3-thiazol-2-ylsulfonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,3-thiazol-2-ylsulfonyl)piperidine-1-carboxylate
PubChem CID66934230
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Nametert-butyl 4-(1,3-thiazol-2-ylsulfonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2nccs2)CC1
InChIInChI=1S/C13H20N2O4S2/c1-13(2,3)19-12(16)15-7-4-10(5-8-15)21(17,18)11-14-6-9-20-11/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyJNHSXYMNWXUDEF-UHFFFAOYSA-N
XLogP2.32
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(1,3-thiazol-2-ylsulfonyl)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-(1,3-thiazol-2-ylsulfonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,3-thiazol-2-ylsulfonyl)piperidine-1-carboxylate (CID 66934230) is tert-butyl 4-(1,3-thiazol-2-ylsulfonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,3-thiazol-2-ylsulfonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,3-thiazol-2-ylsulfonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2nccs2)CC1.
What is the InChIKey of tert-butyl 4-(1,3-thiazol-2-ylsulfonyl)piperidine-1-carboxylate?
The InChIKey is JNHSXYMNWXUDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-13(2,3)19-12(16)15-7-4-10(5-8-15)21(17,18)11-14-6-9-20-11/h6,9-10H,4-5,7-8H2,1-3H3.
What are the key properties of tert-butyl 4-(1,3-thiazol-2-ylsulfonyl)piperidine-1-carboxylate?
tert-butyl 4-(1,3-thiazol-2-ylsulfonyl)piperidine-1-carboxylate has a molecular weight of 332.45 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,3-thiazol-2-ylsulfonyl)piperidine-1-carboxylate is sourced from PubChem (CID 66934230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).