N-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine

C11H22N2OS2 — CID 136933149

IUPACN-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
SMILESCCS(=O)CC/N=C1/NC(CC(C)C)CS1
InChIInChI=1S/C11H22N2OS2/c1-4-16(14)6-5-12-11-13-10(8-15-11)7-9(2)3/h9-10H,4-8H2,1-3H3,(H,12,13)
InChIKeyPTSAIGPDHJFQLZ-UHFFFAOYSA-N
MW262.44 g/mol
LogP1.86
Rot. Bonds6

About N-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine

N-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine (PubChem CID 136933149) has the molecular formula C11H22N2OS2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
PubChem CID136933149
Molecular FormulaC11H22N2OS2
Molecular Weight262.44 g/mol
Exact Mass262.12
IUPAC NameN-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
SMILESCCS(=O)CC/N=C1/NC(CC(C)C)CS1
InChIInChI=1S/C11H22N2OS2/c1-4-16(14)6-5-12-11-13-10(8-15-11)7-9(2)3/h9-10H,4-8H2,1-3H3,(H,12,13)
InChIKeyPTSAIGPDHJFQLZ-UHFFFAOYSA-N
XLogP1.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 51.86
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-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 137002731
N-methyl-N-[2-[[4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]butan-2-amine
CID 136999800
N-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 136952014
N-[2-(cyclopropylmethoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 137017282
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 137000560
4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine
CID 136948922
N-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871888
4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine
CID 136993116
4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine
CID 136701829
4-ethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 136933434
4-ethyl-N-pentyl-1,3-thiazolidin-2-imine
CID 135934584
N-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide
CID 135938395

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
The IUPAC name of N-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine (CID 136933149) is N-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine is CCS(=O)CC/N=C1/NC(CC(C)C)CS1.
What is the InChIKey of N-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
The InChIKey is PTSAIGPDHJFQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS2/c1-4-16(14)6-5-12-11-13-10(8-15-11)7-9(2)3/h9-10H,4-8H2,1-3H3,(H,12,13).
What are the key properties of N-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
N-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine has a molecular weight of 262.44 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136933149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).