2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide

C14H17N3O3S — CID 80518373

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H17N3O3S/c18-14(8-12-9-21(19,20)6-5-15-12)17-11-1-2-13-10(7-11)3-4-16-13/h1-4,7,12,15-16H,5-6,8-9H2,(H,17,18)
InChIKeyRJIBJCPWESFCSP-UHFFFAOYSA-N
MW307.37 g/mol
LogP0.88
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide (PubChem CID 80518373) has the molecular formula C14H17N3O3S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide
PubChem CID80518373
Molecular FormulaC14H17N3O3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H17N3O3S/c18-14(8-12-9-21(19,20)6-5-15-12)17-11-1-2-13-10(7-11)3-4-16-13/h1-4,7,12,15-16H,5-6,8-9H2,(H,17,18)
InChIKeyRJIBJCPWESFCSP-UHFFFAOYSA-N
XLogP0.88
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide 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

N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide
CID 66422272
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide
CID 80519870
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide
CID 80519811
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-iodo-4-methylphenyl)acetamide
CID 80519865
N-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520493
N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80518042
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 80518213
N-(1H-indol-5-yl)-2-(oxetan-3-yl)acetamide
CID 112526005
N-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107805198
N-(2,6-dibromophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107599760
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,4,5-trifluorophenyl)acetamide
CID 80518211
N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520720

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide (CID 80518373) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide is O=C(CC1CS(=O)(=O)CCN1)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide?
The InChIKey is RJIBJCPWESFCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-14(8-12-9-21(19,20)6-5-15-12)17-11-1-2-13-10(7-11)3-4-16-13/h1-4,7,12,15-16H,5-6,8-9H2,(H,17,18).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide has a molecular weight of 307.37 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide is sourced from PubChem (CID 80518373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).