5-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-amine

C12H19N3S — CID 175881809

IUPAC5-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-amine
SMILESCC1CSC(N)N(CCc2ccccn2)C1
InChIInChI=1S/C12H19N3S/c1-10-8-15(12(13)16-9-10)7-5-11-4-2-3-6-14-11/h2-4,6,10,12H,5,7-9,13H2,1H3
InChIKeyJGVLSSRKGGKIGB-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.55
Rot. Bonds3

About 5-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-amine

5-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-amine (PubChem CID 175881809) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 5-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-amine.

Molecular Properties

Compound Name5-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-amine
PubChem CID175881809
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name5-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-amine
SMILESCC1CSC(N)N(CCc2ccccn2)C1
InChIInChI=1S/C12H19N3S/c1-10-8-15(12(13)16-9-10)7-5-11-4-2-3-6-14-11/h2-4,6,10,12H,5,7-9,13H2,1H3
InChIKeyJGVLSSRKGGKIGB-UHFFFAOYSA-N
XLogP1.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 103576660
[3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol
CID 102788197
methyl 2-[(3R)-4-(2-pyridin-2-ylethyl)thiomorpholin-3-yl]acetate
CID 97227916
2,5-diethyl-1-(2-pyridin-2-ylethyl)piperazine
CID 64933750
5,5-diethyl-2-methyl-1-(2-pyridin-2-ylethyl)piperazine
CID 64933169
1,7,9-trimethyl-3,5,12-tris(2-pyridin-2-ylethyl)-3,5,12-triazatetracyclo[5.3.1.12,6.04,9]dodecane
CID 10530041
1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol
CID 157038979
1-[(2R)-2-[(2S)-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95613097
2-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339128
1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone
CID 63845672
3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]propan-1-amine
CID 63763018
1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde
CID 62656596

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-amine?
The IUPAC name of 5-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-amine (CID 175881809) is 5-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-amine.
What is the SMILES notation for 5-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-amine?
The canonical SMILES for 5-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-amine is CC1CSC(N)N(CCc2ccccn2)C1.
What is the InChIKey of 5-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-amine?
The InChIKey is JGVLSSRKGGKIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-10-8-15(12(13)16-9-10)7-5-11-4-2-3-6-14-11/h2-4,6,10,12H,5,7-9,13H2,1H3.
What are the key properties of 5-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-amine?
5-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-amine has a molecular weight of 237.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-amine is sourced from PubChem (CID 175881809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).