(5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C11H13ClN2O3S — CID 43581076

IUPAC(5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNc1ccc(Cl)c(C(=O)N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C11H13ClN2O3S/c12-10-2-1-8(13)7-9(10)11(15)14-3-5-18(16,17)6-4-14/h1-2,7H,3-6,13H2
InChIKeyYZVUKUJTXVBJLB-UHFFFAOYSA-N
MW288.76 g/mol
LogP0.79
Rot. Bonds1

About (5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

(5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 43581076) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is (5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID43581076
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name(5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNc1ccc(Cl)c(C(=O)N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C11H13ClN2O3S/c12-10-2-1-8(13)7-9(10)11(15)14-3-5-18(16,17)6-4-14/h1-2,7H,3-6,13H2
InChIKeyYZVUKUJTXVBJLB-UHFFFAOYSA-N
XLogP0.79
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2-methylphenyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone;hydrochloride
CID 120632356
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 142611641
(2-chloro-5-nitrophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581675
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879
(5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584913
(4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581074
(5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789612
(5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61140481
(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 16773432
(4-amino-2-chlorophenyl)-piperazin-1-ylmethanone;dihydrochloride
CID 155098558
[5-chloro-2-(methylamino)-4-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 114922349

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 43581076) is (5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is Nc1ccc(Cl)c(C(=O)N2CCS(=O)(=O)CC2)c1.
What is the InChIKey of (5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is YZVUKUJTXVBJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c12-10-2-1-8(13)7-9(10)11(15)14-3-5-18(16,17)6-4-14/h1-2,7H,3-6,13H2.
What are the key properties of (5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 288.76 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 43581076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).