11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid

C15H29NO4S — CID 12524103

IUPAC11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C15H29NO4S/c17-15(18)9-7-5-3-1-2-4-6-8-10-16-11-13-21(19,20)14-12-16/h1-14H2,(H,17,18)
InChIKeyAQMFAKMJFCSITD-UHFFFAOYSA-N
MW319.47 g/mol
LogP2.31
Rot. Bonds11

About 11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid

11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid (PubChem CID 12524103) has the molecular formula C15H29NO4S and a molecular weight of 319.47 g/mol. Its IUPAC name is 11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid.

Molecular Properties

Compound Name11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid
PubChem CID12524103
Molecular FormulaC15H29NO4S
Molecular Weight319.47 g/mol
Exact Mass319.18
IUPAC Name11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C15H29NO4S/c17-15(18)9-7-5-3-1-2-4-6-8-10-16-11-13-21(19,20)14-12-16/h1-14H2,(H,17,18)
InChIKeyAQMFAKMJFCSITD-UHFFFAOYSA-N
XLogP2.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic 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

6-(aziridin-1-yl)hexanoic acid
CID 141385441
6-piperazin-1-ylhexanoic acid
CID 54010280
4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105
6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid
CID 43581886
4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 22683899
4-butyl-1,4-thiazinane 1,1-dioxide;ethane
CID 143865715
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine
CID 60840838
5-(5-azaspiro[2.3]hexan-5-yl)pentanoic acid
CID 79695089
4-[4-(4-aminobutyl)piperazin-1-yl]butanoic acid
CID 59708799
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248

Frequently Asked Questions

What is the IUPAC name of 11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid?
The IUPAC name of 11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid (CID 12524103) is 11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid.
What is the SMILES notation for 11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid?
The canonical SMILES for 11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid is O=C(O)CCCCCCCCCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid?
The InChIKey is AQMFAKMJFCSITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4S/c17-15(18)9-7-5-3-1-2-4-6-8-10-16-11-13-21(19,20)14-12-16/h1-14H2,(H,17,18).
What are the key properties of 11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid?
11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid has a molecular weight of 319.47 g/mol, XLogP of 2.31, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid is sourced from PubChem (CID 12524103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).