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

C14H19ClN2O3S — CID 122146742

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC1CS(=O)(=O)CCN1C(=O)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O3S/c1-10-9-21(19,20)8-7-17(10)14(18)16-11(2)12-5-3-4-6-13(12)15/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)/t10?,11-/m1/s1
InChIKeyAMCZXZBMRWVRRY-RRKGBCIJSA-N
MW330.84 g/mol
LogP2.23
Rot. Bonds2

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

N-[(1R)-1-(2-chlorophenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 122146742) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID122146742
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC1CS(=O)(=O)CCN1C(=O)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O3S/c1-10-9-21(19,20)8-7-17(10)14(18)16-11(2)12-5-3-4-6-13(12)15/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)/t10?,11-/m1/s1
InChIKeyAMCZXZBMRWVRRY-RRKGBCIJSA-N
XLogP2.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 122146742) is N-[(1R)-1-(2-chlorophenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is CC1CS(=O)(=O)CCN1C(=O)N[C@H](C)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is AMCZXZBMRWVRRY-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-10-9-21(19,20)8-7-17(10)14(18)16-11(2)12-5-3-4-6-13(12)15/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)/t10?,11-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[(1R)-1-(2-chlorophenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 330.84 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 122146742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).