(2-chlorophenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

C13H16ClNO4S — CID 52600368

IUPAC(2-chlorophenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESO=C(CN1CCS(=O)(=O)CC1)OCc1ccccc1Cl
InChIInChI=1S/C13H16ClNO4S/c14-12-4-2-1-3-11(12)10-19-13(16)9-15-5-7-20(17,18)8-6-15/h1-4H,5-10H2
InChIKeyJYFMARHLDGIDKT-UHFFFAOYSA-N
MW317.79 g/mol
LogP1.11
Rot. Bonds4

About (2-chlorophenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

(2-chlorophenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (PubChem CID 52600368) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
PubChem CID52600368
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name(2-chlorophenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
SMILESO=C(CN1CCS(=O)(=O)CC1)OCc1ccccc1Cl
InChIInChI=1S/C13H16ClNO4S/c14-12-4-2-1-3-11(12)10-19-13(16)9-15-5-7-20(17,18)8-6-15/h1-4H,5-10H2
InChIKeyJYFMARHLDGIDKT-UHFFFAOYSA-N
XLogP1.11
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)methyl 2-aminoacetate
CID 54593146
3-phenylprop-2-enyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 91939030
[2,3,4-tris[[2-(2-chlorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-chlorophenyl)acetate
CID 141296631
[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 55998433
(2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
CID 166369145
(2-chlorophenyl)methyl 1-aminocyclopentane-1-carboxylate
CID 61278448
benzyl 2-[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]acetate
CID 101385594
(2-chlorophenyl)methyl 4-amino-4-methylpentanoate
CID 62050226
1-[2-(2-chlorophenyl)ethyl]-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methylguanidine
CID 111882929
(2-chlorophenyl)methyl 2-(prop-2-ynylamino)acetate
CID 79274047
(2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate
CID 174832128
(2-chlorophenyl)methyl (2S)-3-amino-2-hydroxypropanoate
CID 107837533

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The IUPAC name of (2-chlorophenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (CID 52600368) is (2-chlorophenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The canonical SMILES for (2-chlorophenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is O=C(CN1CCS(=O)(=O)CC1)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
The InChIKey is JYFMARHLDGIDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c14-12-4-2-1-3-11(12)10-19-13(16)9-15-5-7-20(17,18)8-6-15/h1-4H,5-10H2.
What are the key properties of (2-chlorophenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?
(2-chlorophenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate has a molecular weight of 317.79 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is sourced from PubChem (CID 52600368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).