5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine

C13H24N2S — CID 115361640

IUPAC5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCC2(C)CCCC2)SC1
InChIInChI=1S/C13H24N2S/c1-12(2)8-14-11(16-10-12)15-9-13(3)6-4-5-7-13/h4-10H2,1-3H3,(H,14,15)
InChIKeyOCSOEBJRBYTZSY-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.29
Rot. Bonds2

About 5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine

5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361640) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361640
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCC2(C)CCCC2)SC1
InChIInChI=1S/C13H24N2S/c1-12(2)8-14-11(16-10-12)15-9-13(3)6-4-5-7-13/h4-10H2,1-3H3,(H,14,15)
InChIKeyOCSOEBJRBYTZSY-UHFFFAOYSA-N
XLogP3.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine (CID 115361640) is 5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(NCC2(C)CCCC2)SC1.
What is the InChIKey of 5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is OCSOEBJRBYTZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-12(2)8-14-11(16-10-12)15-9-13(3)6-4-5-7-13/h4-10H2,1-3H3,(H,14,15).
What are the key properties of 5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).