2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine

C11H22N2S2 — CID 82760826

IUPAC2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine
SMILESCSC1CNCC1N1CC(C)SC(C)C1
InChIInChI=1S/C11H22N2S2/c1-8-6-13(7-9(2)15-8)10-4-12-5-11(10)14-3/h8-12H,4-7H2,1-3H3
InChIKeyZITDIXHNHGOICU-UHFFFAOYSA-N
MW246.44 g/mol
LogP1.52
Rot. Bonds2

About 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine

2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine (PubChem CID 82760826) has the molecular formula C11H22N2S2 and a molecular weight of 246.44 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine
PubChem CID82760826
Molecular FormulaC11H22N2S2
Molecular Weight246.44 g/mol
Exact Mass246.12
IUPAC Name2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine
SMILESCSC1CNCC1N1CC(C)SC(C)C1
InChIInChI=1S/C11H22N2S2/c1-8-6-13(7-9(2)15-8)10-4-12-5-11(10)14-3/h8-12H,4-7H2,1-3H3
InChIKeyZITDIXHNHGOICU-UHFFFAOYSA-N
XLogP1.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine
CID 82759677
4-fluoro-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine
CID 164659405
2-ethyl-1-methyl-4-(4-methylsulfanylpyrrolidin-3-yl)piperazine
CID 82760088
7,7-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)-1,4-thiazepane
CID 107455318
4,4-diethyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine
CID 82760659
2-(4-methylsulfanylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 82760577
6,7-dimethoxy-2-(4-methylsulfanylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 82765352
methyl N-[1-(4-methylsulfanylpyrrolidin-3-yl)pyrrolidin-3-yl]carbamate
CID 113402349
4-(4-methylsulfanylpyrrolidin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 82759691
4-methylsulfanylpyrrolidin-3-ol
CID 54350545
3-ethylsulfonyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine
CID 82760827
4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol
CID 63703405

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine?
The IUPAC name of 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine (CID 82760826) is 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine.
What is the SMILES notation for 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine?
The canonical SMILES for 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine is CSC1CNCC1N1CC(C)SC(C)C1.
What is the InChIKey of 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine?
The InChIKey is ZITDIXHNHGOICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S2/c1-8-6-13(7-9(2)15-8)10-4-12-5-11(10)14-3/h8-12H,4-7H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine?
2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine has a molecular weight of 246.44 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-methylsulfanylpyrrolidin-3-yl)thiomorpholine is sourced from PubChem (CID 82760826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).