4-(1,3,5-dithiazinan-5-yl)butanoic acid

C7H13NO2S2 — CID 101212176

IUPAC4-(1,3,5-dithiazinan-5-yl)butanoic acid
SMILESO=C(O)CCCN1CSCSC1
InChIInChI=1S/C7H13NO2S2/c9-7(10)2-1-3-8-4-11-6-12-5-8/h1-6H2,(H,9,10)
InChIKeyAIPPVKPVWRQSPW-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.51
Rot. Bonds4

About 4-(1,3,5-dithiazinan-5-yl)butanoic acid

4-(1,3,5-dithiazinan-5-yl)butanoic acid (PubChem CID 101212176) has the molecular formula C7H13NO2S2 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(1,3,5-dithiazinan-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(1,3,5-dithiazinan-5-yl)butanoic acid
PubChem CID101212176
Molecular FormulaC7H13NO2S2
Molecular Weight207.32 g/mol
Exact Mass207.04
IUPAC Name4-(1,3,5-dithiazinan-5-yl)butanoic acid
SMILESO=C(O)CCCN1CSCSC1
InChIInChI=1S/C7H13NO2S2/c9-7(10)2-1-3-8-4-11-6-12-5-8/h1-6H2,(H,9,10)
InChIKeyAIPPVKPVWRQSPW-UHFFFAOYSA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,3,5-dithiazinan-5-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105
6-(aziridin-1-yl)hexanoic acid
CID 141385441
4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 22683899
4-[4-(4-aminobutyl)piperazin-1-yl]butanoic acid
CID 59708799
4-(4-acetylpiperazin-1-yl)butanoic acid
CID 20992242
4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid
CID 106670158
6-piperazin-1-ylhexanoic acid
CID 54010280
11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid
CID 12524103
4-(3-propan-2-ylazetidin-1-yl)butanoic acid
CID 79687036
3-(3-pyrrolidin-1-ylpropylsulfinyl)propanoic acid
CID 61494245
4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid
CID 82364079
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,5-dithiazinan-5-yl)butanoic acid?
The IUPAC name of 4-(1,3,5-dithiazinan-5-yl)butanoic acid (CID 101212176) is 4-(1,3,5-dithiazinan-5-yl)butanoic acid.
What is the SMILES notation for 4-(1,3,5-dithiazinan-5-yl)butanoic acid?
The canonical SMILES for 4-(1,3,5-dithiazinan-5-yl)butanoic acid is O=C(O)CCCN1CSCSC1.
What is the InChIKey of 4-(1,3,5-dithiazinan-5-yl)butanoic acid?
The InChIKey is AIPPVKPVWRQSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S2/c9-7(10)2-1-3-8-4-11-6-12-5-8/h1-6H2,(H,9,10).
What are the key properties of 4-(1,3,5-dithiazinan-5-yl)butanoic acid?
4-(1,3,5-dithiazinan-5-yl)butanoic acid has a molecular weight of 207.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,5-dithiazinan-5-yl)butanoic acid is sourced from PubChem (CID 101212176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).