(1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol

C13H19NO3S — CID 113358948

IUPAC(1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H19NO3S/c1-2-13(15)11-5-3-4-6-12(11)14-7-9-18(16,17)10-8-14/h3-6,13,15H,2,7-10H2,1H3/t13-/m0/s1
InChIKeyCDODVFRVFIFKRV-ZDUSSCGKSA-N
MW269.37 g/mol
LogP1.36
Rot. Bonds3

About (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol

(1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol (PubChem CID 113358948) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol
PubChem CID113358948
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name(1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H19NO3S/c1-2-13(15)11-5-3-4-6-12(11)14-7-9-18(16,17)10-8-14/h3-6,13,15H,2,7-10H2,1H3/t13-/m0/s1
InChIKeyCDODVFRVFIFKRV-ZDUSSCGKSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
(1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol
CID 103960202
(1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960112
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 106836517
(1R)-1-[2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]propan-1-ol
CID 103960079
(1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol
CID 103959777
1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 115995985
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960071
(1R)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propan-1-ol
CID 103959883
2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide
CID 115995958
(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol
CID 103960194
(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol
CID 103959921

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol (CID 113358948) is (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol is CC[C@H](O)c1ccccc1N1CCS(=O)(=O)CC1.
What is the InChIKey of (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol?
The InChIKey is CDODVFRVFIFKRV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-13(15)11-5-3-4-6-12(11)14-7-9-18(16,17)10-8-14/h3-6,13,15H,2,7-10H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol?
(1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol has a molecular weight of 269.37 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-ol is sourced from PubChem (CID 113358948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).