N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazinan-2-imine

C11H20N2OS — CID 136696708

IUPACN-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCOC1CC(/N=C2/NC(C)(C)CCS2)C1
InChIInChI=1S/C11H20N2OS/c1-11(2)4-5-15-10(13-11)12-8-6-9(7-8)14-3/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyGXPCWBXKIXNZQX-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.02
Rot. Bonds2

About N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazinan-2-imine

N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136696708) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazinan-2-imine
PubChem CID136696708
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCOC1CC(/N=C2/NC(C)(C)CCS2)C1
InChIInChI=1S/C11H20N2OS/c1-11(2)4-5-15-10(13-11)12-8-6-9(7-8)14-3/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyGXPCWBXKIXNZQX-UHFFFAOYSA-N
XLogP2.02
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazinan-2-imine (CID 136696708) is N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazinan-2-imine is COC1CC(/N=C2/NC(C)(C)CCS2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is GXPCWBXKIXNZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-11(2)4-5-15-10(13-11)12-8-6-9(7-8)14-3/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazinan-2-imine?
N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 228.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136696708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).