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

C9H19N2OS+ — CID 23647689

IUPAC[(2S,3S)-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-/m0/s1
InChIKeyWCRLBFHWFPELKW-YUMQZZPRSA-O
MW203.33 g/mol
LogP0.18
Rot. Bonds3

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

[(2S,3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium (PubChem CID 23647689) has the molecular formula C9H19N2OS+ and a molecular weight of 203.33 g/mol. Its IUPAC name is [(2S,3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium.

Molecular Properties

Compound Name[(2S,3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium
PubChem CID23647689
Molecular FormulaC9H19N2OS+
Molecular Weight203.33 g/mol
Exact Mass203.12
IUPAC Name[(2S,3S)-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-/m0/s1
InChIKeyWCRLBFHWFPELKW-YUMQZZPRSA-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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Related Compounds

[(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium
CID 7452509
(2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 59007232
(2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one
CID 70304364
[(2R,3R)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium
CID 6941406
2-amino-3-methyl-1-(1,4-thiazepan-4-yl)pentan-1-one
CID 61419316
(2S)-2-amino-3-methyl-1-(1,4-thiazepan-4-yl)pentan-1-one
CID 61419045
(2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one
CID 79025535
3-amino-1-thiomorpholin-4-ylbutan-1-one
CID 60835990
3-propan-2-yloxy-1-thiomorpholin-4-ylpropan-1-one
CID 86996424
1-(1,3-thiazolidin-3-yl)heptan-1-one
CID 166888281
(2S)-3-methyl-2-(1,4-thiazepane-4-carbonylamino)pentanoic acid
CID 61423283
[(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium
CID 6961768

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium?
The IUPAC name of [(2S,3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium (CID 23647689) is [(2S,3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium.
What is the SMILES notation for [(2S,3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium?
The canonical SMILES for [(2S,3S)-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,3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium?
The InChIKey is WCRLBFHWFPELKW-YUMQZZPRSA-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-/m0/s1.
What are the key properties of [(2S,3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium?
[(2S,3S)-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,3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]azanium is sourced from PubChem (CID 23647689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).