2-chloro-N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide

C17H30ClN5O6S — CID 134414661

IUPAC2-chloro-N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESO=C(CCl)NCCOCCOCCOCCn1cc(CN2CCS(=O)(=O)CC2)nn1
InChIInChI=1S/C17H30ClN5O6S/c18-13-17(24)19-1-5-27-7-9-29-10-8-28-6-2-23-15-16(20-21-23)14-22-3-11-30(25,26)12-4-22/h15H,1-14H2,(H,19,24)
InChIKeyFHAMJXAHMZGHJG-UHFFFAOYSA-N
MW467.98 g/mol
LogP-1.09
Rot. Bonds15

About 2-chloro-N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide

2-chloro-N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 134414661) has the molecular formula C17H30ClN5O6S and a molecular weight of 467.98 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide
PubChem CID134414661
Molecular FormulaC17H30ClN5O6S
Molecular Weight467.98 g/mol
Exact Mass467.16
IUPAC Name2-chloro-N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESO=C(CCl)NCCOCCOCCOCCn1cc(CN2CCS(=O)(=O)CC2)nn1
InChIInChI=1S/C17H30ClN5O6S/c18-13-17(24)19-1-5-27-7-9-29-10-8-28-6-2-23-15-16(20-21-23)14-22-3-11-30(25,26)12-4-22/h15H,1-14H2,(H,19,24)
InChIKeyFHAMJXAHMZGHJG-UHFFFAOYSA-N
XLogP-1.09
TPSA124.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.98
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide (CID 134414661) is 2-chloro-N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide is O=C(CCl)NCCOCCOCCOCCn1cc(CN2CCS(=O)(=O)CC2)nn1.
What is the InChIKey of 2-chloro-N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is FHAMJXAHMZGHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClN5O6S/c18-13-17(24)19-1-5-27-7-9-29-10-8-28-6-2-23-15-16(20-21-23)14-22-3-11-30(25,26)12-4-22/h15H,1-14H2,(H,19,24).
What are the key properties of 2-chloro-N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide?
2-chloro-N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 467.98 g/mol, XLogP of -1.09, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-[2-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 134414661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).