N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide

C14H18N2O4S — CID 60546387

IUPACN-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C14H18N2O4S/c1-11(17)12-3-2-4-13(9-12)15-14(18)10-16-5-7-21(19,20)8-6-16/h2-4,9H,5-8,10H2,1H3,(H,15,18)
InChIKeyCSEOONPJMCQHKE-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.56
Rot. Bonds4

About N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide

N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide (PubChem CID 60546387) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
PubChem CID60546387
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C14H18N2O4S/c1-11(17)12-3-2-4-13(9-12)15-14(18)10-16-5-7-21(19,20)8-6-16/h2-4,9H,5-8,10H2,1H3,(H,15,18)
InChIKeyCSEOONPJMCQHKE-UHFFFAOYSA-N
XLogP0.56
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
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N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
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N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
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3-[[2-(azepan-1-yl)acetyl]amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide (CID 60546387) is N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide is CC(=O)c1cccc(NC(=O)CN2CCS(=O)(=O)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
The InChIKey is CSEOONPJMCQHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-11(17)12-3-2-4-13(9-12)15-14(18)10-16-5-7-21(19,20)8-6-16/h2-4,9H,5-8,10H2,1H3,(H,15,18).
What are the key properties of N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide?
N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide has a molecular weight of 310.38 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide is sourced from PubChem (CID 60546387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).