N-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

C14H19ClN2O3S — CID 80518150

IUPACN-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESCC(NC(=O)CC1CS(=O)(=O)CCN1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O3S/c1-10(11-3-2-4-12(15)7-11)17-14(18)8-13-9-21(19,20)6-5-16-13/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyYAZFBXNLYZBSDW-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.29
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

N-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (PubChem CID 80518150) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
PubChem CID80518150
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESCC(NC(=O)CC1CS(=O)(=O)CCN1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O3S/c1-10(11-3-2-4-12(15)7-11)17-14(18)8-13-9-21(19,20)6-5-16-13/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyYAZFBXNLYZBSDW-UHFFFAOYSA-N
XLogP1.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-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

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81353088
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81410503
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 81409100
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 80520928
N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520720
N-[1-(3-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54913622
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80520223
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide
CID 81372786
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide
CID 80520807

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (CID 80518150) is N-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is CC(NC(=O)CC1CS(=O)(=O)CCN1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The InChIKey is YAZFBXNLYZBSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-10(11-3-2-4-12(15)7-11)17-14(18)8-13-9-21(19,20)6-5-16-13/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
N-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide has a molecular weight of 330.84 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is sourced from PubChem (CID 80518150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).