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

C14H26N2O3S — CID 163904018

IUPACtert-butyl N-[(3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate
SMILESCC[C@H](C)C(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-VUWPPUDQSA-N
MW302.44 g/mol
LogP2.46
Rot. Bonds4

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

tert-butyl N-[(3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate (PubChem CID 163904018) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is tert-butyl N-[(3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate
PubChem CID163904018
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Nametert-butyl N-[(3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate
SMILESCC[C@H](C)C(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-VUWPPUDQSA-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

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

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Related Compounds

1-Pentanone, 2-amino-3-methyl-1-(3-thiazolidinyl)-, (2S,3S)-
CID 6918465
(2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one
CID 9883487
(2S,3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-aminium
CID 23647689
(S)-2-Amino-3-methyl-1-thiazolidin-3-yl-pentan-1-one; hydrochloride
CID 11990640
(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-aminium
CID 23647690
2-Amino-3-methyl-1-thiazolidin-3-yl-pentan-1-one
CID 9794235
[1-(1-Carbamoyl-3-methyl-butylcarbamoyl)-3-methylsulfanyl-propyl]-carbamic acid tert-butyl ester
CID 654757
Boc-Leu-Met-NH2
CID 13334461
tert-Butyl 2-((1-(((1-((dimethylamino)carbonyl)-3-(methylthio)propyl)amino)carbonyl)-3-methylbutyl)amino)-2-oxoethylcarbamate
CID 386867
tert-butyl N-[(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 10590481
tert-butyl N-[(2S,3S)-1-(3-fluoropyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl]carbamate
CID 10662131
tert-butyl N-[(2S,3S)-1-[(3R)-3-fluoropyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 21969482

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate (CID 163904018) is tert-butyl N-[(3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate is CC[C@H](C)C(NC(=O)OC(C)(C)C)C(=O)N1CCSC1.
What is the InChIKey of tert-butyl N-[(3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate?
The InChIKey is QMIPUTFCAIHETN-VUWPPUDQSA-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-[(3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate?
tert-butyl N-[(3S)-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-[(3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate is sourced from PubChem (CID 163904018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).