tert-butyl N-[2-oxo-2-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethyl]carbamate

C11H20N2O3S2 — CID 20623553

IUPACtert-butyl N-[2-oxo-2-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CSCC1CS
InChIInChI=1S/C11H20N2O3S2/c1-11(2,3)16-10(15)12-4-9(14)13-7-18-6-8(13)5-17/h8,17H,4-7H2,1-3H3,(H,12,15)
InChIKeyWATDBBUDOZMIQQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.34
Rot. Bonds3

About tert-butyl N-[2-oxo-2-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethyl]carbamate

tert-butyl N-[2-oxo-2-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethyl]carbamate (PubChem CID 20623553) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethyl]carbamate
PubChem CID20623553
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC Nametert-butyl N-[2-oxo-2-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CSCC1CS
InChIInChI=1S/C11H20N2O3S2/c1-11(2,3)16-10(15)12-4-9(14)13-7-18-6-8(13)5-17/h8,17H,4-7H2,1-3H3,(H,12,15)
InChIKeyWATDBBUDOZMIQQ-UHFFFAOYSA-N
XLogP1.34
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethyl]carbamate (CID 20623553) is tert-butyl N-[2-oxo-2-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N1CSCC1CS.
What is the InChIKey of tert-butyl N-[2-oxo-2-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethyl]carbamate?
The InChIKey is WATDBBUDOZMIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-11(2,3)16-10(15)12-4-9(14)13-7-18-6-8(13)5-17/h8,17H,4-7H2,1-3H3,(H,12,15).
What are the key properties of tert-butyl N-[2-oxo-2-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethyl]carbamate has a molecular weight of 292.43 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[4-(sulfanylmethyl)-1,3-thiazolidin-3-yl]ethyl]carbamate is sourced from PubChem (CID 20623553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).