4,4-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazinan-2-imine

C14H20N2S2 — CID 136985011

IUPAC4,4-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazinan-2-imine
SMILESCC1(C)CCS/C(=N\C2CCCc3sccc32)N1
InChIInChI=1S/C14H20N2S2/c1-14(2)7-9-18-13(16-14)15-11-4-3-5-12-10(11)6-8-17-12/h6,8,11H,3-5,7,9H2,1-2H3,(H,15,16)
InChIKeyDRZYXCQPXUSRLT-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.99
Rot. Bonds1

About 4,4-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazinan-2-imine

4,4-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazinan-2-imine (PubChem CID 136985011) has the molecular formula C14H20N2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 4,4-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,4-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazinan-2-imine
PubChem CID136985011
Molecular FormulaC14H20N2S2
Molecular Weight280.46 g/mol
Exact Mass280.11
IUPAC Name4,4-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazinan-2-imine
SMILESCC1(C)CCS/C(=N\C2CCCc3sccc32)N1
InChIInChI=1S/C14H20N2S2/c1-14(2)7-9-18-13(16-14)15-11-4-3-5-12-10(11)6-8-17-12/h6,8,11H,3-5,7,9H2,1-2H3,(H,15,16)
InChIKeyDRZYXCQPXUSRLT-UHFFFAOYSA-N
XLogP3.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.99
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 4,4-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,4-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazinan-2-imine (CID 136985011) is 4,4-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,4-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,4-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazinan-2-imine is CC1(C)CCS/C(=N\C2CCCc3sccc32)N1.
What is the InChIKey of 4,4-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazinan-2-imine?
The InChIKey is DRZYXCQPXUSRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S2/c1-14(2)7-9-18-13(16-14)15-11-4-3-5-12-10(11)6-8-17-12/h6,8,11H,3-5,7,9H2,1-2H3,(H,15,16).
What are the key properties of 4,4-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazinan-2-imine?
4,4-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazinan-2-imine has a molecular weight of 280.46 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136985011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).