N-(2-cyclopentyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C12H22N2OS — CID 65035433

IUPACN-(2-cyclopentyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCCOC2CCCC2)SC1
InChIInChI=1S/C12H22N2OS/c1-10-8-14-12(16-9-10)13-6-7-15-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyUAEAAPACHLSWES-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.27
Rot. Bonds4

About N-(2-cyclopentyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(2-cyclopentyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65035433) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65035433
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(2-cyclopentyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCCOC2CCCC2)SC1
InChIInChI=1S/C12H22N2OS/c1-10-8-14-12(16-9-10)13-6-7-15-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyUAEAAPACHLSWES-UHFFFAOYSA-N
XLogP2.27
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65035433) is N-(2-cyclopentyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NCCOC2CCCC2)SC1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is UAEAAPACHLSWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-10-8-14-12(16-9-10)13-6-7-15-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,13,14).
What are the key properties of N-(2-cyclopentyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-cyclopentyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65035433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).