tert-butyl 4-[methylsulfonyloxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate

C15H24N2O5S2 — CID 18539245

IUPACtert-butyl 4-[methylsulfonyloxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(OS(C)(=O)=O)c2nccs2)CC1
InChIInChI=1S/C15H24N2O5S2/c1-15(2,3)21-14(18)17-8-5-11(6-9-17)12(22-24(4,19)20)13-16-7-10-23-13/h7,10-12H,5-6,8-9H2,1-4H3
InChIKeyQTVZZUDGMUMZQN-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.81
Rot. Bonds4

About tert-butyl 4-[methylsulfonyloxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate

tert-butyl 4-[methylsulfonyloxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate (PubChem CID 18539245) has the molecular formula C15H24N2O5S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is tert-butyl 4-[methylsulfonyloxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[methylsulfonyloxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate
PubChem CID18539245
Molecular FormulaC15H24N2O5S2
Molecular Weight376.50 g/mol
Exact Mass376.11
IUPAC Nametert-butyl 4-[methylsulfonyloxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(OS(C)(=O)=O)c2nccs2)CC1
InChIInChI=1S/C15H24N2O5S2/c1-15(2,3)21-14(18)17-8-5-11(6-9-17)12(22-24(4,19)20)13-16-7-10-23-13/h7,10-12H,5-6,8-9H2,1-4H3
InChIKeyQTVZZUDGMUMZQN-UHFFFAOYSA-N
XLogP2.81
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

4-Fluoro-4-thiazol-2-yl-piperidine-1-carboxylic acid tert-butyl ester
CID 57423797
tert-butyl (3R)-3-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate
CID 92423315
Tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate
CID 18538756
1-Boc-4-(Hydroxythiazol-2-yl-methyl)piperidine
CID 18539256
3-(2-Thiazolyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
CID 53485227
4-Hydroxy-4-(thiazol-2-yl)piperidine-1-carboxylic acid tert-butyl ester
CID 57423796
Tert-butyl 3-[hydroxy(1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
CID 57855147
Tert-butyl 4-(thiazol-2-yl)piperidine-1-carboxylate
CID 58179889
tert-butyl (3S)-3-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
CID 59543997
tert-butyl (3S)-3-[(R)-hydroxy(1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
CID 59544006
tert-butyl (3S)-3-[hydroxy(1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
CID 66752162
tert-butyl 3-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
CID 66752759

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[methylsulfonyloxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[methylsulfonyloxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate (CID 18539245) is tert-butyl 4-[methylsulfonyloxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[methylsulfonyloxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[methylsulfonyloxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(OS(C)(=O)=O)c2nccs2)CC1.
What is the InChIKey of tert-butyl 4-[methylsulfonyloxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate?
The InChIKey is QTVZZUDGMUMZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S2/c1-15(2,3)21-14(18)17-8-5-11(6-9-17)12(22-24(4,19)20)13-16-7-10-23-13/h7,10-12H,5-6,8-9H2,1-4H3.
What are the key properties of tert-butyl 4-[methylsulfonyloxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate?
tert-butyl 4-[methylsulfonyloxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[methylsulfonyloxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 18539245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).