[(1S)-2-oxo-1-piperidin-4-yl-2-(1,3-thiazolidin-3-yl)ethyl]carbamic acid

C11H19N3O3S — CID 69152893

IUPAC[(1S)-2-oxo-1-piperidin-4-yl-2-(1,3-thiazolidin-3-yl)ethyl]carbamic acid
SMILESO=C(O)N[C@H](C(=O)N1CCSC1)C1CCNCC1
InChIInChI=1S/C11H19N3O3S/c15-10(14-5-6-18-7-14)9(13-11(16)17)8-1-3-12-4-2-8/h8-9,12-13H,1-7H2,(H,16,17)/t9-/m0/s1
InChIKeyUGWMFLKYSJWSNU-VIFPVBQESA-N
MW273.36 g/mol
LogP0.16
Rot. Bonds3

About [(1S)-2-oxo-1-piperidin-4-yl-2-(1,3-thiazolidin-3-yl)ethyl]carbamic acid

[(1S)-2-oxo-1-piperidin-4-yl-2-(1,3-thiazolidin-3-yl)ethyl]carbamic acid (PubChem CID 69152893) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is [(1S)-2-oxo-1-piperidin-4-yl-2-(1,3-thiazolidin-3-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-2-oxo-1-piperidin-4-yl-2-(1,3-thiazolidin-3-yl)ethyl]carbamic acid
PubChem CID69152893
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name[(1S)-2-oxo-1-piperidin-4-yl-2-(1,3-thiazolidin-3-yl)ethyl]carbamic acid
SMILESO=C(O)N[C@H](C(=O)N1CCSC1)C1CCNCC1
InChIInChI=1S/C11H19N3O3S/c15-10(14-5-6-18-7-14)9(13-11(16)17)8-1-3-12-4-2-8/h8-9,12-13H,1-7H2,(H,16,17)/t9-/m0/s1
InChIKeyUGWMFLKYSJWSNU-VIFPVBQESA-N
XLogP0.16
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1-piperidin-4-yl-2-(1,3-thiazolidin-3-yl)ethyl]carbamic acid?
The IUPAC name of [(1S)-2-oxo-1-piperidin-4-yl-2-(1,3-thiazolidin-3-yl)ethyl]carbamic acid (CID 69152893) is [(1S)-2-oxo-1-piperidin-4-yl-2-(1,3-thiazolidin-3-yl)ethyl]carbamic acid.
What is the SMILES notation for [(1S)-2-oxo-1-piperidin-4-yl-2-(1,3-thiazolidin-3-yl)ethyl]carbamic acid?
The canonical SMILES for [(1S)-2-oxo-1-piperidin-4-yl-2-(1,3-thiazolidin-3-yl)ethyl]carbamic acid is O=C(O)N[C@H](C(=O)N1CCSC1)C1CCNCC1.
What is the InChIKey of [(1S)-2-oxo-1-piperidin-4-yl-2-(1,3-thiazolidin-3-yl)ethyl]carbamic acid?
The InChIKey is UGWMFLKYSJWSNU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O3S/c15-10(14-5-6-18-7-14)9(13-11(16)17)8-1-3-12-4-2-8/h8-9,12-13H,1-7H2,(H,16,17)/t9-/m0/s1.
What are the key properties of [(1S)-2-oxo-1-piperidin-4-yl-2-(1,3-thiazolidin-3-yl)ethyl]carbamic acid?
[(1S)-2-oxo-1-piperidin-4-yl-2-(1,3-thiazolidin-3-yl)ethyl]carbamic acid has a molecular weight of 273.36 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-1-piperidin-4-yl-2-(1,3-thiazolidin-3-yl)ethyl]carbamic acid is sourced from PubChem (CID 69152893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).