(1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone

C10H12N2O3S — CID 110743458

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H12N2O3S/c13-10(9-3-1-2-4-11-9)12-5-7-16(14,15)8-6-12/h1-4H,5-8H2
InChIKeyQRWIBELVPSFLOH-UHFFFAOYSA-N
MW240.28 g/mol
LogP-0.05
Rot. Bonds1

About (1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone

(1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone (PubChem CID 110743458) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
PubChem CID110743458
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H12N2O3S/c13-10(9-3-1-2-4-11-9)12-5-7-16(14,15)8-6-12/h1-4H,5-8H2
InChIKeyQRWIBELVPSFLOH-UHFFFAOYSA-N
XLogP-0.05
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone
CID 110743459
(1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743476
(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 108534823
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 55652947
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110816028
8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47138301
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone
CID 127305942
[4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 139375717
4-(pyridine-2-carbonyl)piperazine-2,6-dione
CID 66085705

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone (CID 110743458) is (1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone?
The InChIKey is QRWIBELVPSFLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-10(9-3-1-2-4-11-9)12-5-7-16(14,15)8-6-12/h1-4H,5-8H2.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone has a molecular weight of 240.28 g/mol, XLogP of -0.05, 1 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)-pyridin-2-ylmethanone is sourced from PubChem (CID 110743458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).