N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine

C11H17N3OS — CID 62293701

IUPACN-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine
SMILESCNCc1ccnc(N2CCS(=O)CC2)c1
InChIInChI=1S/C11H17N3OS/c1-12-9-10-2-3-13-11(8-10)14-4-6-16(15)7-5-14/h2-3,8,12H,4-7,9H2,1H3
InChIKeyYCMBFMVDUHAROX-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.37
Rot. Bonds3

About N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine

N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine (PubChem CID 62293701) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine
PubChem CID62293701
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine
SMILESCNCc1ccnc(N2CCS(=O)CC2)c1
InChIInChI=1S/C11H17N3OS/c1-12-9-10-2-3-13-11(8-10)14-4-6-16(15)7-5-14/h2-3,8,12H,4-7,9H2,1H3
InChIKeyYCMBFMVDUHAROX-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
N-methyl-1-[4-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanamine
CID 62294581
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine
CID 113336197
1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 103539385
1-[2-(3-ethyl-4-methylpiperazin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 55217767
N-methyl-1-[2-(2-methylpyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 62286079
1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 63192955
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
CID 119841377
1-[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62281361
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
2-methyl-N-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine
CID 62281237

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine (CID 62293701) is N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine is CNCc1ccnc(N2CCS(=O)CC2)c1.
What is the InChIKey of N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine?
The InChIKey is YCMBFMVDUHAROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-12-9-10-2-3-13-11(8-10)14-4-6-16(15)7-5-14/h2-3,8,12H,4-7,9H2,1H3.
What are the key properties of N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine?
N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine has a molecular weight of 239.34 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 62293701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).