2-(1,3,5-dithiazinan-5-yl)propanoic acid

C6H11NO2S2 — CID 101216065

IUPAC2-(1,3,5-dithiazinan-5-yl)propanoic acid
SMILESCC(C(=O)O)N1CSCSC1
InChIInChI=1S/C6H11NO2S2/c1-5(6(8)9)7-2-10-4-11-3-7/h5H,2-4H2,1H3,(H,8,9)
InChIKeyWDVOFPKEJUUQJI-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.11
Rot. Bonds2

About 2-(1,3,5-dithiazinan-5-yl)propanoic acid

2-(1,3,5-dithiazinan-5-yl)propanoic acid (PubChem CID 101216065) has the molecular formula C6H11NO2S2 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(1,3,5-dithiazinan-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(1,3,5-dithiazinan-5-yl)propanoic acid
PubChem CID101216065
Molecular FormulaC6H11NO2S2
Molecular Weight193.29 g/mol
Exact Mass193.02
IUPAC Name2-(1,3,5-dithiazinan-5-yl)propanoic acid
SMILESCC(C(=O)O)N1CSCSC1
InChIInChI=1S/C6H11NO2S2/c1-5(6(8)9)7-2-10-4-11-3-7/h5H,2-4H2,1H3,(H,8,9)
InChIKeyWDVOFPKEJUUQJI-UHFFFAOYSA-N
XLogP1.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[16-(1-carboxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoic acid
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2-(3,5-dimethylpiperidin-1-yl)propanoic acid
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2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-dithiazinan-5-yl)propanoic acid?
The IUPAC name of 2-(1,3,5-dithiazinan-5-yl)propanoic acid (CID 101216065) is 2-(1,3,5-dithiazinan-5-yl)propanoic acid.
What is the SMILES notation for 2-(1,3,5-dithiazinan-5-yl)propanoic acid?
The canonical SMILES for 2-(1,3,5-dithiazinan-5-yl)propanoic acid is CC(C(=O)O)N1CSCSC1.
What is the InChIKey of 2-(1,3,5-dithiazinan-5-yl)propanoic acid?
The InChIKey is WDVOFPKEJUUQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S2/c1-5(6(8)9)7-2-10-4-11-3-7/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-(1,3,5-dithiazinan-5-yl)propanoic acid?
2-(1,3,5-dithiazinan-5-yl)propanoic acid has a molecular weight of 193.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-dithiazinan-5-yl)propanoic acid is sourced from PubChem (CID 101216065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).