2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-3-pyridinyl)acetamide

C12H17N3O4S — CID 47230288

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C12H17N3O4S/c1-19-12-3-2-10(8-13-12)14-11(16)9-15-4-6-20(17,18)7-5-15/h2-3,8H,4-7,9H2,1H3,(H,14,16)
InChIKeyNFUBRMARLZHVIP-UHFFFAOYSA-N
MW299.35 g/mol
LogP-0.24
Rot. Bonds4

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-3-pyridinyl)acetamide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-3-pyridinyl)acetamide (PubChem CID 47230288) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-3-pyridinyl)acetamide
PubChem CID47230288
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C12H17N3O4S/c1-19-12-3-2-10(8-13-12)14-11(16)9-15-4-6-20(17,18)7-5-15/h2-3,8H,4-7,9H2,1H3,(H,14,16)
InChIKeyNFUBRMARLZHVIP-UHFFFAOYSA-N
XLogP-0.24
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-3-pyridinyl)acetamide (CID 47230288) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-3-pyridinyl)acetamide is COc1ccc(NC(=O)CN2CCS(=O)(=O)CC2)cn1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
The InChIKey is NFUBRMARLZHVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-19-12-3-2-10(8-13-12)14-11(16)9-15-4-6-20(17,18)7-5-15/h2-3,8H,4-7,9H2,1H3,(H,14,16).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-3-pyridinyl)acetamide has a molecular weight of 299.35 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 47230288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).