4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol

C13H19NO3S — CID 82976880

IUPAC4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H19NO3S/c1-11(10-12-2-4-13(15)5-3-12)14-6-8-18(16,17)9-7-14/h2-5,11,15H,6-10H2,1H3
InChIKeyPDABZGHWZFVVGO-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.05
Rot. Bonds3

About 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol

4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol (PubChem CID 82976880) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol.

Molecular Properties

Compound Name4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol
PubChem CID82976880
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H19NO3S/c1-11(10-12-2-4-13(15)5-3-12)14-6-8-18(16,17)9-7-14/h2-5,11,15H,6-10H2,1H3
InChIKeyPDABZGHWZFVVGO-UHFFFAOYSA-N
XLogP1.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol 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-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]phenol
CID 82979763
3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid
CID 115496186
4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol
CID 114541108
4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol
CID 115496143
4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol
CID 115496100
4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol
CID 113323158
3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol
CID 104550741
3-ethyl-1-[1-(4-hydroxyphenyl)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 115496197
4-[2-(4-amino-3-methylpiperidin-1-yl)propyl]phenol
CID 113323165
2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 43581307
(2S)-2-amino-3-(4-hydroxyphenyl)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102883213
4-[2-(2-phenylmorpholin-4-yl)propyl]phenol
CID 44589190

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol?
The IUPAC name of 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol (CID 82976880) is 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol.
What is the SMILES notation for 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol?
The canonical SMILES for 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol is CC(Cc1ccc(O)cc1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol?
The InChIKey is PDABZGHWZFVVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11(10-12-2-4-13(15)5-3-12)14-6-8-18(16,17)9-7-14/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol?
4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol has a molecular weight of 269.37 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol is sourced from PubChem (CID 82976880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).