(4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide

C10H16N2O2S — CID 119327692

IUPAC(4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CC2CCC1O2)[C@H]1CSCN1
InChIInChI=1S/C10H16N2O2S/c13-10(8-4-15-5-11-8)12-7-3-6-1-2-9(7)14-6/h6-9,11H,1-5H2,(H,12,13)/t6?,7?,8-,9?/m1/s1
InChIKeyWBHWWDBHOTUPNL-DIVUHBNLSA-N
MW228.32 g/mol
LogP0.09
Rot. Bonds2

About (4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide

(4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 119327692) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is (4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID119327692
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name(4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CC2CCC1O2)[C@H]1CSCN1
InChIInChI=1S/C10H16N2O2S/c13-10(8-4-15-5-11-8)12-7-3-6-1-2-9(7)14-6/h6-9,11H,1-5H2,(H,12,13)/t6?,7?,8-,9?/m1/s1
InChIKeyWBHWWDBHOTUPNL-DIVUHBNLSA-N
XLogP0.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide (CID 119327692) is (4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide is O=C(NC1CC2CCC1O2)[C@H]1CSCN1.
What is the InChIKey of (4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is WBHWWDBHOTUPNL-DIVUHBNLSA-N. The full InChI is InChI=1S/C10H16N2O2S/c13-10(8-4-15-5-11-8)12-7-3-6-1-2-9(7)14-6/h6-9,11H,1-5H2,(H,12,13)/t6?,7?,8-,9?/m1/s1.
What are the key properties of (4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119327692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).