(1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C13H20N4O3S — CID 56912845

IUPAC(1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1cn(C2CCCCC2)nn1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H20N4O3S/c18-13(16-6-8-21(19,20)9-7-16)12-10-17(15-14-12)11-4-2-1-3-5-11/h10-11H,1-9H2
InChIKeyHVAFBAXDNQEMHX-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.65
Rot. Bonds2

About (1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

(1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 56912845) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is (1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID56912845
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name(1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1cn(C2CCCCC2)nn1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H20N4O3S/c18-13(16-6-8-21(19,20)9-7-16)12-10-17(15-14-12)11-4-2-1-3-5-11/h10-11H,1-9H2
InChIKeyHVAFBAXDNQEMHX-UHFFFAOYSA-N
XLogP0.65
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone 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

[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 26318869
(1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 45191024
ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate
CID 42342593
[1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 45215437
(1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
CID 25381434
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone
CID 42357046
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(1-cyclohexyltriazol-4-yl)methanone
CID 42510330
methyl (2S)-1-(1-cyclohexyltriazole-4-carbonyl)piperidine-2-carboxylate
CID 42355771
morpholin-4-yl-(1-piperidin-3-yltriazol-4-yl)methanone
CID 102537912
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 70720670
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone
CID 137340320

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 56912845) is (1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is O=C(c1cn(C2CCCCC2)nn1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is HVAFBAXDNQEMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c18-13(16-6-8-21(19,20)9-7-16)12-10-17(15-14-12)11-4-2-1-3-5-11/h10-11H,1-9H2.
What are the key properties of (1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 312.40 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 56912845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).