N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C11H21N3OS — CID 17338707

IUPACN-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESC1CN=C(NCCCN2CCOCC2)SC1
InChIInChI=1S/C11H21N3OS/c1(5-14-6-8-15-9-7-14)3-12-11-13-4-2-10-16-11/h1-10H2,(H,12,13)
InChIKeyQLBMATSFLKBKPX-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.79
Rot. Bonds4

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

N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 17338707) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID17338707
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC NameN-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESC1CN=C(NCCCN2CCOCC2)SC1
InChIInChI=1S/C11H21N3OS/c1(5-14-6-8-15-9-7-14)3-12-11-13-4-2-10-16-11/h1-10H2,(H,12,13)
InChIKeyQLBMATSFLKBKPX-UHFFFAOYSA-N
XLogP0.79
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 17338707) is N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is C1CN=C(NCCCN2CCOCC2)SC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is QLBMATSFLKBKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1(5-14-6-8-15-9-7-14)3-12-11-13-4-2-10-16-11/h1-10H2,(H,12,13).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 243.38 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 17338707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).