3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol

C14H21NO3S — CID 62618309

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol
SMILESCC(CN1CCS(=O)(=O)CC1)C(O)c1ccccc1
InChIInChI=1S/C14H21NO3S/c1-12(14(16)13-5-3-2-4-6-13)11-15-7-9-19(17,18)10-8-15/h2-6,12,14,16H,7-11H2,1H3
InChIKeyVKJGUORQMOGYQD-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.09
Rot. Bonds4

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol

3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol (PubChem CID 62618309) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol
PubChem CID62618309
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol
SMILESCC(CN1CCS(=O)(=O)CC1)C(O)c1ccccc1
InChIInChI=1S/C14H21NO3S/c1-12(14(16)13-5-3-2-4-6-13)11-15-7-9-19(17,18)10-8-15/h2-6,12,14,16H,7-11H2,1H3
InChIKeyVKJGUORQMOGYQD-UHFFFAOYSA-N
XLogP1.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol
CID 62619504
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol
CID 62617802
2-methyl-1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol
CID 102745849
3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol
CID 63621095
4-[(1S,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
CID 6603988
4-[(1R,2R)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
CID 54452622
3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-1-phenylpropan-1-ol
CID 62617631
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-methylbutane-1,2-dione
CID 124744287
(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
CID 126975442
benzoic acid;4-[3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
CID 174298684
1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 115997045
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]propanoic acid
CID 105345698

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol (CID 62618309) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol is CC(CN1CCS(=O)(=O)CC1)C(O)c1ccccc1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol?
The InChIKey is VKJGUORQMOGYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-12(14(16)13-5-3-2-4-6-13)11-15-7-9-19(17,18)10-8-15/h2-6,12,14,16H,7-11H2,1H3.
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol?
3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol has a molecular weight of 283.39 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 62618309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).