(4-benzyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol

C12H17NO3S — CID 130137485

IUPAC(4-benzyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol
SMILESO=S1(=O)CCN(Cc2ccccc2)CC1CO
InChIInChI=1S/C12H17NO3S/c14-10-12-9-13(6-7-17(12,15)16)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKeyRLKJCPULYMRGQT-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.28
Rot. Bonds3

About (4-benzyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol

(4-benzyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol (PubChem CID 130137485) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is (4-benzyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol.

Molecular Properties

Compound Name(4-benzyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol
PubChem CID130137485
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name(4-benzyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol
SMILESO=S1(=O)CCN(Cc2ccccc2)CC1CO
InChIInChI=1S/C12H17NO3S/c14-10-12-9-13(6-7-17(12,15)16)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKeyRLKJCPULYMRGQT-UHFFFAOYSA-N
XLogP0.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-benzyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol 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

[(2S)-4-benzylthiomorpholin-2-yl]methanol
CID 130735305
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride
CID 89440832
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
[(2S)-1-amino-4-benzylpiperazin-2-yl]methanol
CID 71157233
(9-benzyl-1,5-dimethyl-1,5,9-triazacyclododec-3-yl)methanol
CID 142177909
(8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol
CID 22495756
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
(3aR,6aR)-5-benzyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide
CID 53497340
[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
CID 155487244

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol?
The IUPAC name of (4-benzyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol (CID 130137485) is (4-benzyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol.
What is the SMILES notation for (4-benzyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol?
The canonical SMILES for (4-benzyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol is O=S1(=O)CCN(Cc2ccccc2)CC1CO.
What is the InChIKey of (4-benzyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol?
The InChIKey is RLKJCPULYMRGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-10-12-9-13(6-7-17(12,15)16)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2.
What are the key properties of (4-benzyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol?
(4-benzyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol has a molecular weight of 255.34 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol is sourced from PubChem (CID 130137485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).