[2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol

C11H16N2O3S — CID 114083554

IUPAC[2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol
SMILESO=S1(=O)CCCN(c2ncccc2CO)CC1
InChIInChI=1S/C11H16N2O3S/c14-9-10-3-1-4-12-11(10)13-5-2-7-17(15,16)8-6-13/h1,3-4,14H,2,5-9H2
InChIKeyLNPOPVLGUXVAJY-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.20
Rot. Bonds2

About [2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol

[2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol (PubChem CID 114083554) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is [2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol
PubChem CID114083554
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name[2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol
SMILESO=S1(=O)CCCN(c2ncccc2CO)CC1
InChIInChI=1S/C11H16N2O3S/c14-9-10-3-1-4-12-11(10)13-5-2-7-17(15,16)8-6-13/h1,3-4,14H,2,5-9H2
InChIKeyLNPOPVLGUXVAJY-UHFFFAOYSA-N
XLogP0.20
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]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

[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanol
CID 61257905
2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
CID 114057385
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62283630
[2-(1,1-dioxo-1,4-thiazepan-4-yl)-4-methyl-3-pyridinyl]methanamine
CID 114083352
[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methanol
CID 115561195
[2-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61256468
[2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61421598
3-(1,1-dioxo-1,4-thiazepan-4-yl)pyridine-2-carbonitrile
CID 114083443
[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol
CID 114215021
[2-(2-methylmorpholin-4-yl)-3-pyridinyl]methanol
CID 61254368
[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 102882640
[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine
CID 105389165

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol?
The IUPAC name of [2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol (CID 114083554) is [2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol?
The canonical SMILES for [2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol is O=S1(=O)CCCN(c2ncccc2CO)CC1.
What is the InChIKey of [2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol?
The InChIKey is LNPOPVLGUXVAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c14-9-10-3-1-4-12-11(10)13-5-2-7-17(15,16)8-6-13/h1,3-4,14H,2,5-9H2.
What are the key properties of [2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol?
[2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol has a molecular weight of 256.33 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 114083554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).