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

C14H22N2S2 — CID 136984934

IUPAC4,4-dimethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazinan-2-imine
SMILESCCCC(/N=C1/NC(C)(C)CCS1)c1cccs1
InChIInChI=1S/C14H22N2S2/c1-4-6-11(12-7-5-9-17-12)15-13-16-14(2,3)8-10-18-13/h5,7,9,11H,4,6,8,10H2,1-3H3,(H,15,16)
InChIKeyJOQWFVSSLPHQPQ-UHFFFAOYSA-N
MW282.48 g/mol
LogP4.45
Rot. Bonds4

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

4,4-dimethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazinan-2-imine (PubChem CID 136984934) has the molecular formula C14H22N2S2 and a molecular weight of 282.48 g/mol. Its IUPAC name is 4,4-dimethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,4-dimethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazinan-2-imine
PubChem CID136984934
Molecular FormulaC14H22N2S2
Molecular Weight282.48 g/mol
Exact Mass282.12
IUPAC Name4,4-dimethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazinan-2-imine
SMILESCCCC(/N=C1/NC(C)(C)CCS1)c1cccs1
InChIInChI=1S/C14H22N2S2/c1-4-6-11(12-7-5-9-17-12)15-13-16-14(2,3)8-10-18-13/h5,7,9,11H,4,6,8,10H2,1-3H3,(H,15,16)
InChIKeyJOQWFVSSLPHQPQ-UHFFFAOYSA-N
XLogP4.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine
CID 136985048
N-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984868
N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984895
3,3-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966476
N'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide
CID 55158236
1-thiophen-2-ylbutylcyanamide
CID 62481656
9-(1-thiophen-2-ylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64966321
N-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136964207
4,4-dimethyl-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136985103
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984810
4,4-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazinan-2-imine
CID 136985011
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136985047

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,4-dimethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazinan-2-imine (CID 136984934) is 4,4-dimethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,4-dimethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,4-dimethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazinan-2-imine is CCCC(/N=C1/NC(C)(C)CCS1)c1cccs1.
What is the InChIKey of 4,4-dimethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazinan-2-imine?
The InChIKey is JOQWFVSSLPHQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S2/c1-4-6-11(12-7-5-9-17-12)15-13-16-14(2,3)8-10-18-13/h5,7,9,11H,4,6,8,10H2,1-3H3,(H,15,16).
What are the key properties of 4,4-dimethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazinan-2-imine?
4,4-dimethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazinan-2-imine has a molecular weight of 282.48 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136984934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).