4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine

C10H20N2S2 — CID 137011012

IUPAC4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine
SMILESCSC(C)(C)C/N=C1/NC(C)(C)CS1
InChIInChI=1S/C10H20N2S2/c1-9(2)7-14-8(12-9)11-6-10(3,4)13-5/h6-7H2,1-5H3,(H,11,12)
InChIKeyNXKVQZVVGNIPRC-UHFFFAOYSA-N
MW232.42 g/mol
LogP2.60
Rot. Bonds3

About 4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine

4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine (PubChem CID 137011012) has the molecular formula C10H20N2S2 and a molecular weight of 232.42 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine
PubChem CID137011012
Molecular FormulaC10H20N2S2
Molecular Weight232.42 g/mol
Exact Mass232.11
IUPAC Name4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine
SMILESCSC(C)(C)C/N=C1/NC(C)(C)CS1
InChIInChI=1S/C10H20N2S2/c1-9(2)7-14-8(12-9)11-6-10(3,4)13-5/h6-7H2,1-5H3,(H,11,12)
InChIKeyNXKVQZVVGNIPRC-UHFFFAOYSA-N
XLogP2.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 52.60
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

N-(2-methyl-2-methylsulfanylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 137003296
7-methyl-N-(2-methyl-2-methylsulfanylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 137011014
3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,2,2-trimethylpropanamide
CID 136817723
N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984895
N-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136964207
N-(3-methoxypropyl)-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 135934666
4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine
CID 137011046
3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropan-1-amine
CID 135934621
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 136923727
N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762648
4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine
CID 136703330
N-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 135934567

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine (CID 137011012) is 4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine is CSC(C)(C)C/N=C1/NC(C)(C)CS1.
What is the InChIKey of 4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine?
The InChIKey is NXKVQZVVGNIPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S2/c1-9(2)7-14-8(12-9)11-6-10(3,4)13-5/h6-7H2,1-5H3,(H,11,12).
What are the key properties of 4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine?
4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine has a molecular weight of 232.42 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 137011012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).