[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone

C12H17N3O2S — CID 81243142

IUPAC[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCNc1cc(C)ncc1C(=O)N1CCS(=O)CC1
InChIInChI=1S/C12H17N3O2S/c1-9-7-11(13-2)10(8-14-9)12(16)15-3-5-18(17)6-4-15/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeySLEWIQPYDQERTO-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.64
Rot. Bonds2

About [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone

[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 81243142) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID81243142
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCNc1cc(C)ncc1C(=O)N1CCS(=O)CC1
InChIInChI=1S/C12H17N3O2S/c1-9-7-11(13-2)10(8-14-9)12(16)15-3-5-18(17)6-4-15/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeySLEWIQPYDQERTO-UHFFFAOYSA-N
XLogP0.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 2874016
6-methyl-N-[2-(1-piperidinyl)ethyl]nicotinamide
CID 1237027
(6-(2-Phenylethynyl)pyridin-3-yl)(thiomorpholino)methanone
CID 45266964
(E)-N-(3-(dimethylamino)propyl)-6-((hydroxyimino)methyl)nicotinamide
CID 135455076
N-(2-Benzenesulfonylamino-ethyl)-6-methyl-nicotinamide
CID 6498634
6-(Hydroxyimino-methyl)-N-(2-piperidin-1-yl-ethyl)-nicotinamide
CID 135495453
N,N'-(iminodipropane-3,1-diyl)bis(6-methylpyridine-3-carboxamide)
CID 664534
N-(3-methylbutyl)-3-(5-oxo-1,6-naphthyridin-6-yl)propanamide
CID 90645053
6-[(E)-(hydroxyimino)methyl]-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 135455113
N-cyclopentyl-6-methylpyridine-3-carboxamide
CID 10352879
Pyridin-3-yl(thiomorpholin-4-yl)methanone
CID 45828468
6-Methyl-N-(2-morpholinoethyl)nicotinamide
CID 46233362

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 81243142) is [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone is CNc1cc(C)ncc1C(=O)N1CCS(=O)CC1.
What is the InChIKey of [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is SLEWIQPYDQERTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9-7-11(13-2)10(8-14-9)12(16)15-3-5-18(17)6-4-15/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 267.35 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 81243142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).