5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C12H23N3S — CID 65036008

IUPAC5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCC2CCCCN2C)SC1
InChIInChI=1S/C12H23N3S/c1-10-7-13-12(16-9-10)14-8-11-5-3-4-6-15(11)2/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyRGXQSVGVLMSVPD-UHFFFAOYSA-N
MW241.40 g/mol
LogP1.80
Rot. Bonds2

About 5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65036008) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65036008
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCC2CCCCN2C)SC1
InChIInChI=1S/C12H23N3S/c1-10-7-13-12(16-9-10)14-8-11-5-3-4-6-15(11)2/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyRGXQSVGVLMSVPD-UHFFFAOYSA-N
XLogP1.80
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65036008) is 5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NCC2CCCCN2C)SC1.
What is the InChIKey of 5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is RGXQSVGVLMSVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-10-7-13-12(16-9-10)14-8-11-5-3-4-6-15(11)2/h10-11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 241.40 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65036008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).