tert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate

C14H26N2O3S — CID 58594264

IUPACtert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate
SMILESCCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC1
InChIInChI=1S/C14H26N2O3S/c1-6-10(2)11(12(17)16-7-8-20-9-16)15-13(18)19-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)/t10?,11-/m0/s1
InChIKeyQMIPUTFCAIHETN-DTIOYNMSSA-N
MW302.44 g/mol
LogP2.46
Rot. Bonds4

About tert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate

tert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate (PubChem CID 58594264) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate
PubChem CID58594264
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Nametert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate
SMILESCCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC1
InChIInChI=1S/C14H26N2O3S/c1-6-10(2)11(12(17)16-7-8-20-9-16)15-13(18)19-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)/t10?,11-/m0/s1
InChIKeyQMIPUTFCAIHETN-DTIOYNMSSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate (CID 58594264) is tert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate is CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC1.
What is the InChIKey of tert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate?
The InChIKey is QMIPUTFCAIHETN-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-6-10(2)11(12(17)16-7-8-20-9-16)15-13(18)19-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)/t10?,11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate?
tert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate has a molecular weight of 302.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate is sourced from PubChem (CID 58594264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).