N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C12H17N3O3S — CID 122557299

IUPACN-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCc1cc(CNC(=O)N2CCS(=O)(=O)CC2)ccn1
InChIInChI=1S/C12H17N3O3S/c1-10-8-11(2-3-13-10)9-14-12(16)15-4-6-19(17,18)7-5-15/h2-3,8H,4-7,9H2,1H3,(H,14,16)
InChIKeyXWEMFCKVBSEPQD-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.33
Rot. Bonds2

About N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 122557299) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID122557299
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCc1cc(CNC(=O)N2CCS(=O)(=O)CC2)ccn1
InChIInChI=1S/C12H17N3O3S/c1-10-8-11(2-3-13-10)9-14-12(16)15-4-6-19(17,18)7-5-15/h2-3,8H,4-7,9H2,1H3,(H,14,16)
InChIKeyXWEMFCKVBSEPQD-UHFFFAOYSA-N
XLogP0.33
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 138019313
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
2-[[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325153
N-[(2-methyl-4-pyridinyl)methyl]-3-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 122562490
(E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide
CID 131243847
N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 34677256
N-[[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]methyl]-4-methylpiperazine-1-carboxamide
CID 151897106
2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide
CID 122556170
4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706314
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71868402

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 122557299) is N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is Cc1cc(CNC(=O)N2CCS(=O)(=O)CC2)ccn1.
What is the InChIKey of N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is XWEMFCKVBSEPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-10-8-11(2-3-13-10)9-14-12(16)15-4-6-19(17,18)7-5-15/h2-3,8H,4-7,9H2,1H3,(H,14,16).
What are the key properties of N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 122557299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).