N-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine

C12H22N2O2S2 — CID 135977171

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine
SMILESCCC1(CC)CS/C(=N\CC2CCS(=O)(=O)C2)N1
InChIInChI=1S/C12H22N2O2S2/c1-3-12(4-2)9-17-11(14-12)13-7-10-5-6-18(15,16)8-10/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyODTISWNACNGYLQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP1.67
Rot. Bonds4

About N-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine

N-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine (PubChem CID 135977171) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine
PubChem CID135977171
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine
SMILESCCC1(CC)CS/C(=N\CC2CCS(=O)(=O)C2)N1
InChIInChI=1S/C12H22N2O2S2/c1-3-12(4-2)9-17-11(14-12)13-7-10-5-6-18(15,16)8-10/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyODTISWNACNGYLQ-UHFFFAOYSA-N
XLogP1.67
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 137002756
N-[(1,1-dioxothiolan-3-yl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747063
4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine
CID 136867395
4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine
CID 136762681
N-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
CID 136954513
3-[2-(2-ethylpiperidin-2-yl)ethyl]thiolane 1,1-dioxide
CID 117271576
5-ethyl-3-methylthiepane 1,1-dioxide
CID 137466910
3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 64947359
N-[(1-methylpyrrolidin-3-yl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819525
3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide
CID 117271660
2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropanamide
CID 136830040
4,4-diethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine
CID 136824830

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine (CID 135977171) is N-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine is CCC1(CC)CS/C(=N\CC2CCS(=O)(=O)C2)N1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine?
The InChIKey is ODTISWNACNGYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-3-12(4-2)9-17-11(14-12)13-7-10-5-6-18(15,16)8-10/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine?
N-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine has a molecular weight of 290.45 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135977171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).