(1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone

C12H15NO4S — CID 110721382

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H15NO4S/c1-17-11-5-3-2-4-10(11)12(14)13-6-8-18(15,16)9-7-13/h2-5H,6-9H2,1H3
InChIKeyFCRGWPQXRPJJTF-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.57
Rot. Bonds2

About (1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone (PubChem CID 110721382) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone
PubChem CID110721382
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C12H15NO4S/c1-17-11-5-3-2-4-10(11)12(14)13-6-8-18(15,16)9-7-13/h2-5H,6-9H2,1H3
InChIKeyFCRGWPQXRPJJTF-UHFFFAOYSA-N
XLogP0.57
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
[7-(2-chlorophenyl)-1,1-dioxo-1,4-thiazepan-4-yl]-(2-methoxyphenyl)methanone
CID 121192796
2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 108567688
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone
CID 61400654
(2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone
CID 4743493
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 92612370
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone (CID 110721382) is (1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone?
The InChIKey is FCRGWPQXRPJJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-17-11-5-3-2-4-10(11)12(14)13-6-8-18(15,16)9-7-13/h2-5H,6-9H2,1H3.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone has a molecular weight of 269.32 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 110721382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).