tert-butyl 3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate

C14H26N2O4S — CID 138621962

IUPACtert-butyl 3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate
SMILESCC1CCN(C2CCCN(C(=O)OC(C)(C)C)C2)S1(=O)=O
InChIInChI=1S/C14H26N2O4S/c1-11-7-9-16(21(11,18)19)12-6-5-8-15(10-12)13(17)20-14(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyOQJJTCVYIMPBLE-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.81
Rot. Bonds1

About tert-butyl 3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate

tert-butyl 3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate (PubChem CID 138621962) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is tert-butyl 3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate
PubChem CID138621962
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Nametert-butyl 3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate
SMILESCC1CCN(C2CCCN(C(=O)OC(C)(C)C)C2)S1(=O)=O
InChIInChI=1S/C14H26N2O4S/c1-11-7-9-16(21(11,18)19)12-6-5-8-15(10-12)13(17)20-14(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyOQJJTCVYIMPBLE-UHFFFAOYSA-N
XLogP1.81
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[(3S,4S)-3,4-dimethyl-2,5-dioxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 138622117
tert-butyl 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 138622116
tert-butyl (3S)-3-(3-aminoazetidin-1-yl)piperidine-1-carboxylate
CID 86317604
tert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate
CID 129353870
tert-butyl (3S,4S)-4-hydroxy-3-methylazepane-1-carboxylate
CID 124523424
tert-butyl (3R,4S)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 124556161
tert-butyl 3-[(1S,2R)-2-aminocyclopropyl]piperidine-1-carboxylate
CID 165489343
tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 68596422
tert-butyl (3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 118114841
tert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate
CID 155344878
tert-butyl (3S,4S)-4-(aminomethyl)-3-methylazepane-1-carboxylate
CID 125117061
tert-butyl 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 63788851

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate (CID 138621962) is tert-butyl 3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate is CC1CCN(C2CCCN(C(=O)OC(C)(C)C)C2)S1(=O)=O.
What is the InChIKey of tert-butyl 3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate?
The InChIKey is OQJJTCVYIMPBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-11-7-9-16(21(11,18)19)12-6-5-8-15(10-12)13(17)20-14(2,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of tert-butyl 3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate?
tert-butyl 3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate has a molecular weight of 318.44 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 138621962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).