[6-(3-chlorophenyl)-5-cyclopropyl-2-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C19H19ClN2O3S — CID 71105563

IUPAC[6-(3-chlorophenyl)-5-cyclopropyl-2-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1ccc(C2CC2)c(-c2cccc(Cl)c2)n1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C19H19ClN2O3S/c20-15-3-1-2-14(12-15)18-16(13-4-5-13)6-7-17(21-18)19(23)22-8-10-26(24,25)11-9-22/h1-3,6-7,12-13H,4-5,8-11H2
InChIKeyJCEJFPGKYIPKII-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.15
Rot. Bonds3

About [6-(3-chlorophenyl)-5-cyclopropyl-2-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

[6-(3-chlorophenyl)-5-cyclopropyl-2-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 71105563) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is [6-(3-chlorophenyl)-5-cyclopropyl-2-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[6-(3-chlorophenyl)-5-cyclopropyl-2-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID71105563
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name[6-(3-chlorophenyl)-5-cyclopropyl-2-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1ccc(C2CC2)c(-c2cccc(Cl)c2)n1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C19H19ClN2O3S/c20-15-3-1-2-14(12-15)18-16(13-4-5-13)6-7-17(21-18)19(23)22-8-10-26(24,25)11-9-22/h1-3,6-7,12-13H,4-5,8-11H2
InChIKeyJCEJFPGKYIPKII-UHFFFAOYSA-N
XLogP3.15
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(3-chlorophenyl)-5-cyclopropyl-2-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [6-(3-chlorophenyl)-5-cyclopropyl-2-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 71105563) is [6-(3-chlorophenyl)-5-cyclopropyl-2-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [6-(3-chlorophenyl)-5-cyclopropyl-2-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [6-(3-chlorophenyl)-5-cyclopropyl-2-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is O=C(c1ccc(C2CC2)c(-c2cccc(Cl)c2)n1)N1CCS(=O)(=O)CC1.
What is the InChIKey of [6-(3-chlorophenyl)-5-cyclopropyl-2-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is JCEJFPGKYIPKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c20-15-3-1-2-14(12-15)18-16(13-4-5-13)6-7-17(21-18)19(23)22-8-10-26(24,25)11-9-22/h1-3,6-7,12-13H,4-5,8-11H2.
What are the key properties of [6-(3-chlorophenyl)-5-cyclopropyl-2-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
[6-(3-chlorophenyl)-5-cyclopropyl-2-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 390.89 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chlorophenyl)-5-cyclopropyl-2-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 71105563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).