N-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine

C11H17N3OS — CID 62471252

IUPACN-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
SMILESCNc1ncccc1CN1CCS(=O)CC1
InChIInChI=1S/C11H17N3OS/c1-12-11-10(3-2-4-13-11)9-14-5-7-16(15)8-6-14/h2-4H,5-9H2,1H3,(H,12,13)
InChIKeyRQYGQSVLOAFLNI-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.69
Rot. Bonds3

About N-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine

N-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine (PubChem CID 62471252) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
PubChem CID62471252
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
SMILESCNc1ncccc1CN1CCS(=O)CC1
InChIInChI=1S/C11H17N3OS/c1-12-11-10(3-2-4-13-11)9-14-5-7-16(15)8-6-14/h2-4H,5-9H2,1H3,(H,12,13)
InChIKeyRQYGQSVLOAFLNI-UHFFFAOYSA-N
XLogP0.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine
CID 62973167
N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 63165530
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-2-amine
CID 115561761
1-ethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]piperazine-2,3-dione
CID 55075338
1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 62464540
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-methylpyridin-2-amine
CID 55145384
3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one
CID 62465616
3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683
3-[[2-(methylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione
CID 62465249
3-ethyl-N-methylpyridin-2-amine;molecular hydrogen
CID 177195094
ethene;3-ethyl-N-methylpyridin-2-amine
CID 143712916
methyl 2-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridine-3-carboxylate
CID 114198478

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine (CID 62471252) is N-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine is CNc1ncccc1CN1CCS(=O)CC1.
What is the InChIKey of N-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
The InChIKey is RQYGQSVLOAFLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-12-11-10(3-2-4-13-11)9-14-5-7-16(15)8-6-14/h2-4H,5-9H2,1H3,(H,12,13).
What are the key properties of N-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
N-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine has a molecular weight of 239.34 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 62471252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).