[(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium

C9H19N2OS+ — CID 23647690

IUPAC[(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium
SMILESCC[C@@H](C)[C@H]([NH3+])C(=O)N1CCSC1
InChIInChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/p+1/t7-,8+/m1/s1
InChIKeyWCRLBFHWFPELKW-SFYZADRCSA-O
MW203.33 g/mol
LogP0.18
Rot. Bonds3

About [(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium

[(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium (PubChem CID 23647690) has the molecular formula C9H19N2OS+ and a molecular weight of 203.33 g/mol. Its IUPAC name is [(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium.

Molecular Properties

Compound Name[(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium
PubChem CID23647690
Molecular FormulaC9H19N2OS+
Molecular Weight203.33 g/mol
Exact Mass203.12
IUPAC Name[(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium
SMILESCC[C@@H](C)[C@H]([NH3+])C(=O)N1CCSC1
InChIInChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/p+1/t7-,8+/m1/s1
InChIKeyWCRLBFHWFPELKW-SFYZADRCSA-O
XLogP0.18
TPSA47.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium?
The IUPAC name of [(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium (CID 23647690) is [(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium.
What is the SMILES notation for [(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium?
The canonical SMILES for [(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium is CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCSC1.
What is the InChIKey of [(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium?
The InChIKey is WCRLBFHWFPELKW-SFYZADRCSA-O. The full InChI is InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/p+1/t7-,8+/m1/s1.
What are the key properties of [(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium?
[(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium has a molecular weight of 203.33 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium is sourced from PubChem (CID 23647690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).