(3S)-N-[2-(3-ethoxyphenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

C16H24N2O4S — CID 164641216

IUPAC(3S)-N-[2-(3-ethoxyphenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCCOc1cccc(CCNC(=O)N2CCS(=O)(=O)C[C@@H]2C)c1
InChIInChI=1S/C16H24N2O4S/c1-3-22-15-6-4-5-14(11-15)7-8-17-16(19)18-9-10-23(20,21)12-13(18)2/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyYTEZOQTUABEISM-ZDUSSCGKSA-N
MW340.45 g/mol
LogP1.46
Rot. Bonds5

About (3S)-N-[2-(3-ethoxyphenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

(3S)-N-[2-(3-ethoxyphenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 164641216) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is (3S)-N-[2-(3-ethoxyphenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(3-ethoxyphenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID164641216
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name(3S)-N-[2-(3-ethoxyphenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCCOc1cccc(CCNC(=O)N2CCS(=O)(=O)C[C@@H]2C)c1
InChIInChI=1S/C16H24N2O4S/c1-3-22-15-6-4-5-14(11-15)7-8-17-16(19)18-9-10-23(20,21)12-13(18)2/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyYTEZOQTUABEISM-ZDUSSCGKSA-N
XLogP1.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(3-ethoxyphenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of (3S)-N-[2-(3-ethoxyphenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 164641216) is (3S)-N-[2-(3-ethoxyphenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for (3S)-N-[2-(3-ethoxyphenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for (3S)-N-[2-(3-ethoxyphenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is CCOc1cccc(CCNC(=O)N2CCS(=O)(=O)C[C@@H]2C)c1.
What is the InChIKey of (3S)-N-[2-(3-ethoxyphenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is YTEZOQTUABEISM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-22-15-6-4-5-14(11-15)7-8-17-16(19)18-9-10-23(20,21)12-13(18)2/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (3S)-N-[2-(3-ethoxyphenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
(3S)-N-[2-(3-ethoxyphenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(3-ethoxyphenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 164641216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).