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

C13H24N2OS — CID 115361644

IUPACN-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCCOC2CCCC2)SC1
InChIInChI=1S/C13H24N2OS/c1-13(2)9-15-12(17-10-13)14-7-8-16-11-5-3-4-6-11/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyMZOOXFQDXSROJJ-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.66
Rot. Bonds4

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

N-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361644) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361644
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCCOC2CCCC2)SC1
InChIInChI=1S/C13H24N2OS/c1-13(2)9-15-12(17-10-13)14-7-8-16-11-5-3-4-6-11/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyMZOOXFQDXSROJJ-UHFFFAOYSA-N
XLogP2.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.66
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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Related Compounds

N-(2-cyclopentyloxyethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250913
2-[2-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]ethoxy]acetamide
CID 106240287
3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide
CID 115361264
N-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63826687
N-(3-methoxy-2-methylpropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361495
ethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate
CID 115361499
N-tert-butyl-3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanamide
CID 113410833
4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine
CID 63826013
2-N-(2-cyclopentyloxyethyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437043
N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361676
3-amino-5-(2-cyclopentyloxyethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103361701
N-(2-cyclopentyloxyethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682122

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 115361644) is N-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(NCCOC2CCCC2)SC1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is MZOOXFQDXSROJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-13(2)9-15-12(17-10-13)14-7-8-16-11-5-3-4-6-11/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 256.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).